N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine

C14H27NO2S — CID 64717554

IUPACN-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
SMILESCNC1CCCC(S(=O)(=O)C2CCCC(C)C2)C1
InChIInChI=1S/C14H27NO2S/c1-11-5-3-7-13(9-11)18(16,17)14-8-4-6-12(10-14)15-2/h11-15H,3-10H2,1-2H3
InChIKeyDYFXLEWFTFTIEB-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.51
Rot. Bonds3

About N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine

N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine (PubChem CID 64717554) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
PubChem CID64717554
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
SMILESCNC1CCCC(S(=O)(=O)C2CCCC(C)C2)C1
InChIInChI=1S/C14H27NO2S/c1-11-5-3-7-13(9-11)18(16,17)14-8-4-6-12(10-14)15-2/h11-15H,3-10H2,1-2H3
InChIKeyDYFXLEWFTFTIEB-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-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The IUPAC name of N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine (CID 64717554) is N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine is CNC1CCCC(S(=O)(=O)C2CCCC(C)C2)C1.
What is the InChIKey of N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The InChIKey is DYFXLEWFTFTIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-11-5-3-7-13(9-11)18(16,17)14-8-4-6-12(10-14)15-2/h11-15H,3-10H2,1-2H3.
What are the key properties of N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-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-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 64717554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).