N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide

C18H22N4S — CID 15951481

IUPACN'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide
SMILESCN(C)CCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21
InChIInChI=1S/C18H22N4S/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20)
InChIKeyGSWFTSBRUQGJAA-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.69
Rot. Bonds6

About N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide

N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide (PubChem CID 15951481) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide
PubChem CID15951481
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC NameN'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide
SMILESCN(C)CCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21
InChIInChI=1S/C18H22N4S/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20)
InChIKeyGSWFTSBRUQGJAA-UHFFFAOYSA-N
XLogP3.69
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide (CID 15951481) is N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide is CN(C)CCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.
What is the InChIKey of N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide?
The InChIKey is GSWFTSBRUQGJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20).
What are the key properties of N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide?
N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide has a molecular weight of 326.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 15951481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).