N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide

C13H16N2O2S — CID 113336626

IUPACN-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide
SMILESCC(CNC(=O)c1ccc2cc[nH]c2c1)S(C)=O
InChIInChI=1S/C13H16N2O2S/c1-9(18(2)17)8-15-13(16)11-4-3-10-5-6-14-12(10)7-11/h3-7,9,14H,8H2,1-2H3,(H,15,16)
InChIKeyLHWPZIZFDJDKIJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.66
Rot. Bonds4

About N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide

N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide (PubChem CID 113336626) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide
PubChem CID113336626
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide
SMILESCC(CNC(=O)c1ccc2cc[nH]c2c1)S(C)=O
InChIInChI=1S/C13H16N2O2S/c1-9(18(2)17)8-15-13(16)11-4-3-10-5-6-14-12(10)7-11/h3-7,9,14H,8H2,1-2H3,(H,15,16)
InChIKeyLHWPZIZFDJDKIJ-UHFFFAOYSA-N
XLogP1.66
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
CID 102907607
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide
CID 78975173
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
CID 39704482
N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide
CID 103528166
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172
4-fluoro-N-(2-methylsulfinylpropyl)-3-sulfanylbenzamide
CID 107035456
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449311
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
CID 55028268

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide (CID 113336626) is N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide is CC(CNC(=O)c1ccc2cc[nH]c2c1)S(C)=O.
What is the InChIKey of N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide?
The InChIKey is LHWPZIZFDJDKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(18(2)17)8-15-13(16)11-4-3-10-5-6-14-12(10)7-11/h3-7,9,14H,8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide?
N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 113336626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).