N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide

C99H120N20O4S4 — CID 157267610

IUPACN'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide
SMILESCN(C)CCCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.CN1CCCC(n2ccc3ccc(/N=C(\N)c4cccs4)cc32)CC1.N/C(=N\c1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccco1.N/C(=N\c1ccc2ccn(CCCN3CCOCC3)c2c1)c1cccs1.N/C(=N\c1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccsc1
InChIInChI=1S/C20H24N4O2.2C20H24N4OS.C20H24N4S.C19H24N4S/c21-20(19-3-1-12-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-13-25-14-11-23;21-20(17-5-13-26-15-17)22-18-3-2-16-4-8-24(19(16)14-18)7-1-6-23-9-11-25-12-10-23;21-20(19-3-1-14-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-12-25-13-11-23;1-23-10-2-4-17(9-11-23)24-12-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19;1-22(2)10-3-4-11-23-12-9-15-7-8-16(14-17(15)23)21-19(20)18-6-5-13-24-18/h1,3-6,9,12,15H,2,7-8,10-11,13-14H2,(H2,21,22);2-5,8,13-15H,1,6-7,9-12H2,(H2,21,22);1,3-6,9,14-15H,2,7-8,10-13H2,(H2,21,22);3,5-8,12-14,17H,2,4,9-11H2,1H3,(H2,21,22);5-9,12-14H,3-4,10-11H2,1-2H3,(H2,20,21)
InChIKeyAYEFSTDNVMNYMT-UHFFFAOYSA-N
MW1782.45 g/mol
LogP18.40
Rot. Bonds28

About N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide

N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide (PubChem CID 157267610) has the molecular formula C99H120N20O4S4 and a molecular weight of 1782.45 g/mol. Its IUPAC name is N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide.

Molecular Properties

Compound NameN'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide
PubChem CID157267610
Molecular FormulaC99H120N20O4S4
Molecular Weight1782.45 g/mol
Exact Mass1780.87
IUPAC NameN'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide
SMILESCN(C)CCCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.CN1CCCC(n2ccc3ccc(/N=C(\N)c4cccs4)cc32)CC1.N/C(=N\c1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccco1.N/C(=N\c1ccc2ccn(CCCN3CCOCC3)c2c1)c1cccs1.N/C(=N\c1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccsc1
InChIInChI=1S/C20H24N4O2.2C20H24N4OS.C20H24N4S.C19H24N4S/c21-20(19-3-1-12-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-13-25-14-11-23;21-20(17-5-13-26-15-17)22-18-3-2-16-4-8-24(19(16)14-18)7-1-6-23-9-11-25-12-10-23;21-20(19-3-1-14-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-12-25-13-11-23;1-23-10-2-4-17(9-11-23)24-12-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19;1-22(2)10-3-4-11-23-12-9-15-7-8-16(14-17(15)23)21-19(20)18-6-5-13-24-18/h1,3-6,9,12,15H,2,7-8,10-11,13-14H2,(H2,21,22);2-5,8,13-15H,1,6-7,9-12H2,(H2,21,22);1,3-6,9,14-15H,2,7-8,10-13H2,(H2,21,22);3,5-8,12-14,17H,2,4,9-11H2,1H3,(H2,21,22);5-9,12-14H,3-4,10-11H2,1-2H3,(H2,20,21)
InChIKeyAYEFSTDNVMNYMT-UHFFFAOYSA-N
XLogP18.40
TPSA273.58 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds28
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001782.45
LogP ≤ 518.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide?
The IUPAC name of N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide (CID 157267610) is N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide.
What is the SMILES notation for N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide?
The canonical SMILES for N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide is CN(C)CCCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.CN1CCCC(n2ccc3ccc(/N=C(\N)c4cccs4)cc32)CC1.N/C(=N\c1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccco1.N/C(=N\c1ccc2ccn(CCCN3CCOCC3)c2c1)c1cccs1.N/C(=N\c1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccsc1.
What is the InChIKey of N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide?
The InChIKey is AYEFSTDNVMNYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.2C20H24N4OS.C20H24N4S.C19H24N4S/c21-20(19-3-1-12-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-13-25-14-11-23;21-20(17-5-13-26-15-17)22-18-3-2-16-4-8-24(19(16)14-18)7-1-6-23-9-11-25-12-10-23;21-20(19-3-1-14-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-12-25-13-11-23;1-23-10-2-4-17(9-11-23)24-12-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19;1-22(2)10-3-4-11-23-12-9-15-7-8-16(14-17(15)23)21-19(20)18-6-5-13-24-18/h1,3-6,9,12,15H,2,7-8,10-11,13-14H2,(H2,21,22);2-5,8,13-15H,1,6-7,9-12H2,(H2,21,22);1,3-6,9,14-15H,2,7-8,10-13H2,(H2,21,22);3,5-8,12-14,17H,2,4,9-11H2,1H3,(H2,21,22);5-9,12-14H,3-4,10-11H2,1-2H3,(H2,20,21).
What are the key properties of N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide?
N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide has a molecular weight of 1782.45 g/mol, XLogP of 18.40, 28 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide is sourced from PubChem (CID 157267610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).