N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide

C20H24N4S — CID 15951130

IUPACN'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide
SMILESCN1CCC[C@@H]1CCn1ccc2ccc(/N=C(\N)c3cccs3)cc21
InChIInChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(H2,21,22)/t17-/m1/s1
InChIKeyZPYXFXHKINDFBM-QGZVFWFLSA-N
MW352.51 g/mol
LogP4.22
Rot. Bonds5

About N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide

N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide (PubChem CID 15951130) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide
PubChem CID15951130
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC NameN'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide
SMILESCN1CCC[C@@H]1CCn1ccc2ccc(/N=C(\N)c3cccs3)cc21
InChIInChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(H2,21,22)/t17-/m1/s1
InChIKeyZPYXFXHKINDFBM-QGZVFWFLSA-N
XLogP4.22
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.22
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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Related Compounds

N'-[1-[2-(dimethylamino)ethyl]indol-6-yl]thiophene-2-carboximidamide
CID 11955738
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
Dimethyl-[2-(5-thiophen-2-yl-1H-indol-3-yl)-ethyl]-amine
CID 11402988
Dimethyl-[2-(5-thiophen-3-yl-1H-indol-3-yl)-ethyl]-amine
CID 44214329
N-[3-(1,2,3,6-Tetrahydro-1-methyl-4-pyridinyl)-1H-indol-5-yl]-2-thiophenecarboximidamide
CID 15951194
3-(thiophen-3-yl)-1H-indol-6-amine
CID 44410875
1-methyl-3-[(1-methyl-1H-indol-3-yl)(thien-2-yl)methyl]-1H-indole
CID 5087383
3-(2-Pyrrolidin-1-yl-ethyl)-5-thiophen-2-yl-1H-indole
CID 10266598
3-[2-(2,5-Dimethyl-pyrrolidin-1-yl)-ethyl]-5-thiophen-2-yl-1H-indole
CID 10403999
Dimethyl-[2-(6-thiophen-3-yl-indol-1-yl)-ethyl]-amine
CID 18007589

Frequently Asked Questions

What is the IUPAC name of N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide (CID 15951130) is N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide is CN1CCC[C@@H]1CCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.
What is the InChIKey of N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide?
The InChIKey is ZPYXFXHKINDFBM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(H2,21,22)/t17-/m1/s1.
What are the key properties of N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide?
N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide has a molecular weight of 352.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]indol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 15951130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).