1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine

C16H22N2O2S — CID 162666403

IUPAC1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine
SMILESCN(C)c1cccc2c1ccn2S(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H22N2O2S/c1-17(2)15-9-6-10-16-14(15)11-12-18(16)21(19,20)13-7-4-3-5-8-13/h6,9-13H,3-5,7-8H2,1-2H3
InChIKeyQKVXCXPLARYCAT-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.22
Rot. Bonds3

About 1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine

1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine (PubChem CID 162666403) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine
PubChem CID162666403
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine
SMILESCN(C)c1cccc2c1ccn2S(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H22N2O2S/c1-17(2)15-9-6-10-16-14(15)11-12-18(16)21(19,20)13-7-4-3-5-8-13/h6,9-13H,3-5,7-8H2,1-2H3
InChIKeyQKVXCXPLARYCAT-UHFFFAOYSA-N
XLogP3.22
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine?
The IUPAC name of 1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine (CID 162666403) is 1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine.
What is the SMILES notation for 1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine?
The canonical SMILES for 1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine is CN(C)c1cccc2c1ccn2S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine?
The InChIKey is QKVXCXPLARYCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-17(2)15-9-6-10-16-14(15)11-12-18(16)21(19,20)13-7-4-3-5-8-13/h6,9-13H,3-5,7-8H2,1-2H3.
What are the key properties of 1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine?
1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine has a molecular weight of 306.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine is sourced from PubChem (CID 162666403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).