N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide

C14H18N2O2S — CID 115729499

IUPACN-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide
SMILESCC(CCNC(=O)c1c[nH]c2ccccc12)S(C)=O
InChIInChI=1S/C14H18N2O2S/c1-10(19(2)18)7-8-15-14(17)12-9-16-13-6-4-3-5-11(12)13/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyPEOQUXAMJPWJPW-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.05
Rot. Bonds5

About N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide

N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide (PubChem CID 115729499) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide
PubChem CID115729499
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide
SMILESCC(CCNC(=O)c1c[nH]c2ccccc12)S(C)=O
InChIInChI=1S/C14H18N2O2S/c1-10(19(2)18)7-8-15-14(17)12-9-16-13-6-4-3-5-11(12)13/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyPEOQUXAMJPWJPW-UHFFFAOYSA-N
XLogP2.05
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-methylsulfinylbutyl)-1H-indole-3-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

2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
CID 107831836
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide
CID 113262853
N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 84541178
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-(3-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide (CID 115729499) is N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide is CC(CCNC(=O)c1c[nH]c2ccccc12)S(C)=O.
What is the InChIKey of N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide?
The InChIKey is PEOQUXAMJPWJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(19(2)18)7-8-15-14(17)12-9-16-13-6-4-3-5-11(12)13/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide?
N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 115729499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).