N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine

C14H27NO2S — CID 79032448

IUPACN-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine
SMILESCC1CCC(NC2CCCC(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C14H27NO2S/c1-11-6-8-12(9-7-11)15-13-4-3-5-14(10-13)18(2,16)17/h11-15H,3-10H2,1-2H3
InChIKeyITIBAFJSEKCDDY-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.51
Rot. Bonds3

About N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine

N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine (PubChem CID 79032448) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine
PubChem CID79032448
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine
SMILESCC1CCC(NC2CCCC(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C14H27NO2S/c1-11-6-8-12(9-7-11)15-13-4-3-5-14(10-13)18(2,16)17/h11-15H,3-10H2,1-2H3
InChIKeyITIBAFJSEKCDDY-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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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine (CID 79032448) is N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine is CC1CCC(NC2CCCC(S(C)(=O)=O)C2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine?
The InChIKey is ITIBAFJSEKCDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-11-6-8-12(9-7-11)15-13-4-3-5-14(10-13)18(2,16)17/h11-15H,3-10H2,1-2H3.
What are the key properties of N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine?
N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-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 N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 79032448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).