4-methylsulfonylcyclohexan-1-amine

C7H15NO2S — CID 24689381

IUPAC4-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCC(N)CC1
InChIInChI=1S/C7H15NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h6-7H,2-5,8H2,1H3
InChIKeyAQVBQDPPRIPJIW-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.30
Rot. Bonds1

About 4-methylsulfonylcyclohexan-1-amine

4-methylsulfonylcyclohexan-1-amine (PubChem CID 24689381) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methylsulfonylcyclohexan-1-amine
PubChem CID24689381
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCC(N)CC1
InChIInChI=1S/C7H15NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h6-7H,2-5,8H2,1H3
InChIKeyAQVBQDPPRIPJIW-UHFFFAOYSA-N
XLogP0.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylcyclohexan-1-amine?
The IUPAC name of 4-methylsulfonylcyclohexan-1-amine (CID 24689381) is 4-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for 4-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for 4-methylsulfonylcyclohexan-1-amine is CS(=O)(=O)C1CCC(N)CC1.
What is the InChIKey of 4-methylsulfonylcyclohexan-1-amine?
The InChIKey is AQVBQDPPRIPJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h6-7H,2-5,8H2,1H3.
What are the key properties of 4-methylsulfonylcyclohexan-1-amine?
4-methylsulfonylcyclohexan-1-amine has a molecular weight of 177.27 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 24689381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).