N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine

C15H23NO2S — CID 43177189

IUPACN-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO2S/c1-12(16-14-6-4-3-5-7-14)13-8-10-15(11-9-13)19(2,17)18/h8-12,14,16H,3-7H2,1-2H3
InChIKeyXDMJQKSNBNRAJP-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.07
Rot. Bonds4

About N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine

N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine (PubChem CID 43177189) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
PubChem CID43177189
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO2S/c1-12(16-14-6-4-3-5-7-14)13-8-10-15(11-9-13)19(2,17)18/h8-12,14,16H,3-7H2,1-2H3
InChIKeyXDMJQKSNBNRAJP-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine
CID 43216334
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811
1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide
CID 95733842
3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
CID 103786848
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-[1-(4-tert-butylphenyl)ethyl]cycloheptanamine
CID 43095672
1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 105027698
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
4-[1-(cyclopentylamino)ethyl]aniline
CID 82933347
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine (CID 43177189) is N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine is CC(NC1CCCCC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine?
The InChIKey is XDMJQKSNBNRAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(16-14-6-4-3-5-7-14)13-8-10-15(11-9-13)19(2,17)18/h8-12,14,16H,3-7H2,1-2H3.
What are the key properties of N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine?
N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine has a molecular weight of 281.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine is sourced from PubChem (CID 43177189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).