2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine

C14H27NO2S — CID 64673814

IUPAC2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H27NO2S/c1-11-8-9-13(15-2)14(10-11)18(16,17)12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3
InChIKeyJMTJECUWUOZTCT-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.51
Rot. Bonds3

About 2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine

2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine (PubChem CID 64673814) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
PubChem CID64673814
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H27NO2S/c1-11-8-9-13(15-2)14(10-11)18(16,17)12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3
InChIKeyJMTJECUWUOZTCT-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine
CID 64675198
2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine
CID 64674214
N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64675834
2-cyclohexylsulfonyl-4-methylcyclohexane-1-carbonitrile
CID 64691026
N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676036
4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64676428
N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine
CID 107758538
N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine
CID 64674992
2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64647537
7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64674104
2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine
CID 64674406
N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717554

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine (CID 64673814) is 2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine is CNC1CCC(C)CC1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine?
The InChIKey is JMTJECUWUOZTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-11-8-9-13(15-2)14(10-11)18(16,17)12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine?
2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64673814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).