2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine

C14H22N2O2S — CID 63855480

IUPAC2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine
SMILESCC(C)CCS(=O)(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C14H22N2O2S/c1-10(2)6-7-19(17,18)16-11(3)8-12-9-13(15)4-5-14(12)16/h4-5,9-11H,6-8,15H2,1-3H3
InChIKeyJOIXOVSFKIRXCF-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.40
Rot. Bonds4

About 2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine

2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine (PubChem CID 63855480) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine
PubChem CID63855480
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine
SMILESCC(C)CCS(=O)(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C14H22N2O2S/c1-10(2)6-7-19(17,18)16-11(3)8-12-9-13(15)4-5-14(12)16/h4-5,9-11H,6-8,15H2,1-3H3
InChIKeyJOIXOVSFKIRXCF-UHFFFAOYSA-N
XLogP2.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.40
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

1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine
CID 43551068
2-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-5-amine
CID 82839149
5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide
CID 43551056
1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine
CID 55262070
1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine
CID 43551065
(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 92671060
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
[(2S)-1-ethylsulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 92671037
5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
CID 84761078
(2S)-1-ethylsulfonyl-2-methyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 99962590
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)octan-1-one
CID 43550092
(2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671081

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine?
The IUPAC name of 2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine (CID 63855480) is 2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine.
What is the SMILES notation for 2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine?
The canonical SMILES for 2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine is CC(C)CCS(=O)(=O)N1c2ccc(N)cc2CC1C.
What is the InChIKey of 2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine?
The InChIKey is JOIXOVSFKIRXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(2)6-7-19(17,18)16-11(3)8-12-9-13(15)4-5-14(12)16/h4-5,9-11H,6-8,15H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine?
2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine has a molecular weight of 282.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine is sourced from PubChem (CID 63855480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).