N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide

C18H19N3OS — CID 164635055

IUPACN-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2ccsc2)C1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H19N3OS/c22-18(17-9-14-3-1-2-4-16(14)20-17)19-15-5-7-21(11-15)10-13-6-8-23-12-13/h1-4,6,8-9,12,15,20H,5,7,10-11H2,(H,19,22)/t15-/m0/s1
InChIKeyLXYNDXFGCXFDLN-HNNXBMFYSA-N
MW325.44 g/mol
LogP3.23
Rot. Bonds4

About N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide

N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 164635055) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
PubChem CID164635055
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2ccsc2)C1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H19N3OS/c22-18(17-9-14-3-1-2-4-16(14)20-17)19-15-5-7-21(11-15)10-13-6-8-23-12-13/h1-4,6,8-9,12,15,20H,5,7,10-11H2,(H,19,22)/t15-/m0/s1
InChIKeyLXYNDXFGCXFDLN-HNNXBMFYSA-N
XLogP3.23
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 134161550
4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide
CID 126851463
N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
CID 171137288
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847
(E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
CID 126855424
4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 126851459
N-(4-aminocyclohexyl)-1H-indole-2-carboxamide
CID 62318715
methyl (3R)-3-(1H-indole-2-carbonylamino)azepane-1-carboxylate
CID 96580468
N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 139011250

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide (CID 164635055) is N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide is O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is LXYNDXFGCXFDLN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-18(17-9-14-3-1-2-4-16(14)20-17)19-15-5-7-21(11-15)10-13-6-8-23-12-13/h1-4,6,8-9,12,15,20H,5,7,10-11H2,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide?
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 164635055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).