1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine

C13H20N2O2S — CID 43551068

IUPAC1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine
SMILESCCCCS(=O)(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C13H20N2O2S/c1-3-4-7-18(16,17)15-10(2)8-11-9-12(14)5-6-13(11)15/h5-6,9-10H,3-4,7-8,14H2,1-2H3
InChIKeySSUYBWVRTJNVSE-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.15
Rot. Bonds4

About 1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine

1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine (PubChem CID 43551068) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine
PubChem CID43551068
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine
SMILESCCCCS(=O)(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C13H20N2O2S/c1-3-4-7-18(16,17)15-10(2)8-11-9-12(14)5-6-13(11)15/h5-6,9-10H,3-4,7-8,14H2,1-2H3
InChIKeySSUYBWVRTJNVSE-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.15
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

2-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-5-amine
CID 82839149
2-methyl-1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine
CID 63855480
5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide
CID 43551056
(2R)-N-butyl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670891
1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine
CID 43551065
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)octan-1-one
CID 43550092
(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 92671060
[(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
N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46515794
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671018

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine?
The IUPAC name of 1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine (CID 43551068) is 1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine is CCCCS(=O)(=O)N1c2ccc(N)cc2CC1C.
What is the InChIKey of 1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine?
The InChIKey is SSUYBWVRTJNVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-4-7-18(16,17)15-10(2)8-11-9-12(14)5-6-13(11)15/h5-6,9-10H,3-4,7-8,14H2,1-2H3.
What are the key properties of 1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine?
1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine has a molecular weight of 268.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-2-methyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 43551068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).