1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine

C16H24N2O2S — CID 102661303

IUPAC1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine
SMILESCC(N)c1ccc2c(c1)CCN2S(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-12(17)13-7-8-16-14(11-13)9-10-18(16)21(19,20)15-5-3-2-4-6-15/h7-8,11-12,15H,2-6,9-10,17H2,1H3
InChIKeyVHBUVZAIHSBGAA-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.73
Rot. Bonds3

About 1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine

1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine (PubChem CID 102661303) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine
PubChem CID102661303
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine
SMILESCC(N)c1ccc2c(c1)CCN2S(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-12(17)13-7-8-16-14(11-13)9-10-18(16)21(19,20)15-5-3-2-4-6-15/h7-8,11-12,15H,2-6,9-10,17H2,1H3
InChIKeyVHBUVZAIHSBGAA-UHFFFAOYSA-N
XLogP2.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminoethyl)-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
CID 102661293
1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 61066001
1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661602
1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661429
1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661285
1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661427
1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamine
CID 82175784
N-cyclopropyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide
CID 102661361
6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline
CID 176658466
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
2-(1-cyclohexyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 117118471

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine?
The IUPAC name of 1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine (CID 102661303) is 1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine.
What is the SMILES notation for 1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine?
The canonical SMILES for 1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine is CC(N)c1ccc2c(c1)CCN2S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine?
The InChIKey is VHBUVZAIHSBGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12(17)13-7-8-16-14(11-13)9-10-18(16)21(19,20)15-5-3-2-4-6-15/h7-8,11-12,15H,2-6,9-10,17H2,1H3.
What are the key properties of 1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine?
1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine has a molecular weight of 308.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine is sourced from PubChem (CID 102661303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).