N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide

C13H16N2O2S — CID 115621267

IUPACN-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
SMILESCS(=O)CCCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H16N2O2S/c1-18(17)8-2-6-15-13(16)11-3-4-12-10(9-11)5-7-14-12/h3-5,7,9,14H,2,6,8H2,1H3,(H,15,16)
InChIKeyZEOZHNOCIHMKPP-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.67
Rot. Bonds5

About N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide

N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide (PubChem CID 115621267) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
PubChem CID115621267
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
SMILESCS(=O)CCCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H16N2O2S/c1-18(17)8-2-6-15-13(16)11-3-4-12-10(9-11)5-7-14-12/h3-5,7,9,14H,2,6,8H2,1H3,(H,15,16)
InChIKeyZEOZHNOCIHMKPP-UHFFFAOYSA-N
XLogP1.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
CID 63718064
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-(2-piperazin-1-ylethyl)-1H-indole-5-carboxamide
CID 63747724
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide
CID 97024088
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide (CID 115621267) is N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide is CS(=O)CCCNC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide?
The InChIKey is ZEOZHNOCIHMKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-18(17)8-2-6-15-13(16)11-3-4-12-10(9-11)5-7-14-12/h3-5,7,9,14H,2,6,8H2,1H3,(H,15,16).
What are the key properties of N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide?
N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 115621267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).