1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine

C16H23NO2S — CID 117473650

IUPAC1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine
SMILESNC1(c2ccccc2S(=O)(=O)C2CCC2)CCCCC1
InChIInChI=1S/C16H23NO2S/c17-16(11-4-1-5-12-16)14-9-2-3-10-15(14)20(18,19)13-7-6-8-13/h2-3,9-10,13H,1,4-8,11-12,17H2
InChIKeyRBFWVCHWVUSPLG-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.13
Rot. Bonds3

About 1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine

1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine (PubChem CID 117473650) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine
PubChem CID117473650
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine
SMILESNC1(c2ccccc2S(=O)(=O)C2CCC2)CCCCC1
InChIInChI=1S/C16H23NO2S/c17-16(11-4-1-5-12-16)14-9-2-3-10-15(14)20(18,19)13-7-6-8-13/h2-3,9-10,13H,1,4-8,11-12,17H2
InChIKeyRBFWVCHWVUSPLG-UHFFFAOYSA-N
XLogP3.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine
CID 117417974
1-(2-cyclohexylphenyl)cyclohexan-1-amine
CID 117397261
3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one
CID 117421840
(2-cyclobutylsulfonylphenyl)methanol
CID 84690547
1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine
CID 84726146
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol
CID 117391624
3-(2-cyclobutylsulfonylphenyl)propanoic acid
CID 117424665
2-cycloheptylsulfonyl-6-methylaniline
CID 82935936
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
CID 117460026
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine (CID 117473650) is 1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine is NC1(c2ccccc2S(=O)(=O)C2CCC2)CCCCC1.
What is the InChIKey of 1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine?
The InChIKey is RBFWVCHWVUSPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c17-16(11-4-1-5-12-16)14-9-2-3-10-15(14)20(18,19)13-7-6-8-13/h2-3,9-10,13H,1,4-8,11-12,17H2.
What are the key properties of 1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine?
1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117473650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).