2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine

C17H25NO2S — CID 64673532

IUPAC2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine
SMILESNC1CCC(c2ccccc2)CC1S(=O)(=O)C1CCCC1
InChIInChI=1S/C17H25NO2S/c18-16-11-10-14(13-6-2-1-3-7-13)12-17(16)21(19,20)15-8-4-5-9-15/h1-3,6-7,14-17H,4-5,8-12,18H2
InChIKeyKNEHJNOVZPJNRG-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.01
Rot. Bonds3

About 2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine

2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine (PubChem CID 64673532) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine
PubChem CID64673532
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine
SMILESNC1CCC(c2ccccc2)CC1S(=O)(=O)C1CCCC1
InChIInChI=1S/C17H25NO2S/c18-16-11-10-14(13-6-2-1-3-7-13)12-17(16)21(19,20)15-8-4-5-9-15/h1-3,6-7,14-17H,4-5,8-12,18H2
InChIKeyKNEHJNOVZPJNRG-UHFFFAOYSA-N
XLogP3.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine?
The IUPAC name of 2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine (CID 64673532) is 2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine?
The canonical SMILES for 2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine is NC1CCC(c2ccccc2)CC1S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine?
The InChIKey is KNEHJNOVZPJNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c18-16-11-10-14(13-6-2-1-3-7-13)12-17(16)21(19,20)15-8-4-5-9-15/h1-3,6-7,14-17H,4-5,8-12,18H2.
What are the key properties of 2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine?
2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine has a molecular weight of 307.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 64673532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).