2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide

C16H20N2OS — CID 107271669

IUPAC2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide
SMILESCSC1(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1
InChIInChI=1S/C16H20N2OS/c1-10-11(2)18-14-5-4-12(8-13(10)14)15(19)17-9-16(20-3)6-7-16/h4-5,8,18H,6-7,9H2,1-3H3,(H,17,19)
InChIKeySPVXREFBVFSEEE-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.41
Rot. Bonds4

About 2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide

2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide (PubChem CID 107271669) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide
PubChem CID107271669
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide
SMILESCSC1(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1
InChIInChI=1S/C16H20N2OS/c1-10-11(2)18-14-5-4-12(8-13(10)14)15(19)17-9-16(20-3)6-7-16/h4-5,8,18H,6-7,9H2,1-3H3,(H,17,19)
InChIKeySPVXREFBVFSEEE-UHFFFAOYSA-N
XLogP3.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-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-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 75451316
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide
CID 107271586
N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 61258712
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 41490708
N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 48503245
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide (CID 107271669) is 2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide is CSC1(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1.
What is the InChIKey of 2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide?
The InChIKey is SPVXREFBVFSEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-11(2)18-14-5-4-12(8-13(10)14)15(19)17-9-16(20-3)6-7-16/h4-5,8,18H,6-7,9H2,1-3H3,(H,17,19).
What are the key properties of 2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 107271669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).