5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide

C12H15N3O2S — CID 113479607

IUPAC5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
SMILESCS(=O)CCNC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C12H15N3O2S/c1-18(17)5-4-14-12(16)11-7-8-6-9(13)2-3-10(8)15-11/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16)
InChIKeyFIGQJNZPDGGNCJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.86
Rot. Bonds4

About 5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide

5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide (PubChem CID 113479607) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
PubChem CID113479607
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
SMILESCS(=O)CCNC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C12H15N3O2S/c1-18(17)5-4-14-12(16)11-7-8-6-9(13)2-3-10(8)15-11/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16)
InChIKeyFIGQJNZPDGGNCJ-UHFFFAOYSA-N
XLogP0.86
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
CID 63118430
5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
CID 55179457
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 79351560
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 62056992
5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide
CID 106249434
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide
CID 106033368
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
CID 86759764
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
CID 63117740
5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215186

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide (CID 113479607) is 5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide is CS(=O)CCNC(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide?
The InChIKey is FIGQJNZPDGGNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-18(17)5-4-14-12(16)11-7-8-6-9(13)2-3-10(8)15-11/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16).
What are the key properties of 5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide?
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113479607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).