1-methylsulfonyl-2,3-dihydroindol-5-amine

C9H12N2O2S — CID 735917

IUPAC1-methylsulfonyl-2,3-dihydroindol-5-amine
SMILESCS(=O)(=O)N1CCc2cc(N)ccc21
InChIInChI=1S/C9H12N2O2S/c1-14(12,13)11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5,10H2,1H3
InChIKeyJLXKFJCABSSCPF-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.59
Rot. Bonds1

About 1-methylsulfonyl-2,3-dihydroindol-5-amine

1-methylsulfonyl-2,3-dihydroindol-5-amine (PubChem CID 735917) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-methylsulfonyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-methylsulfonyl-2,3-dihydroindol-5-amine
PubChem CID735917
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name1-methylsulfonyl-2,3-dihydroindol-5-amine
SMILESCS(=O)(=O)N1CCc2cc(N)ccc21
InChIInChI=1S/C9H12N2O2S/c1-14(12,13)11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5,10H2,1H3
InChIKeyJLXKFJCABSSCPF-UHFFFAOYSA-N
XLogP0.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-3-methyl-N-ethyl-N-(beta-(methanesulfonamido)ethyl)aniline
CID 66693
N-(2-(Ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide
CID 41694
2,3-dihydro-1H-indole-5-sulfonamide
CID 8027252
4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
N-ethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 7312501
N,N-dimethyl-1-indolinesulfonamide
CID 744039
Cambridge id 5209248
CID 2833381
2,3-dihydro-1H-indole-1-sulfonamide
CID 22070623
N,N-Dimethylindoline-5-Sulfonamide
CID 2736127
1-(Methylsulfonyl)indoline
CID 639972
1-Benzylsulfonyl-2,3-dihydroindole
CID 870979
N-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide
CID 155512234

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2,3-dihydroindol-5-amine?
The IUPAC name of 1-methylsulfonyl-2,3-dihydroindol-5-amine (CID 735917) is 1-methylsulfonyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-methylsulfonyl-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-methylsulfonyl-2,3-dihydroindol-5-amine is CS(=O)(=O)N1CCc2cc(N)ccc21.
What is the InChIKey of 1-methylsulfonyl-2,3-dihydroindol-5-amine?
The InChIKey is JLXKFJCABSSCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-14(12,13)11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5,10H2,1H3.
What are the key properties of 1-methylsulfonyl-2,3-dihydroindol-5-amine?
1-methylsulfonyl-2,3-dihydroindol-5-amine has a molecular weight of 212.27 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 735917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).