2-methylsulfonylcyclohexan-1-amine

C7H15NO2S — CID 14615351

IUPAC2-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCCC1N
InChIInChI=1S/C7H15NO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h6-7H,2-5,8H2,1H3
InChIKeyMBOUYTIVZNSOKX-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.30
Rot. Bonds1

About 2-methylsulfonylcyclohexan-1-amine

2-methylsulfonylcyclohexan-1-amine (PubChem CID 14615351) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfonylcyclohexan-1-amine
PubChem CID14615351
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCCC1N
InChIInChI=1S/C7H15NO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h6-7H,2-5,8H2,1H3
InChIKeyMBOUYTIVZNSOKX-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 2-methylsulfonylcyclohexan-1-amine?
The IUPAC name of 2-methylsulfonylcyclohexan-1-amine (CID 14615351) is 2-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for 2-methylsulfonylcyclohexan-1-amine is CS(=O)(=O)C1CCCCC1N.
What is the InChIKey of 2-methylsulfonylcyclohexan-1-amine?
The InChIKey is MBOUYTIVZNSOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h6-7H,2-5,8H2,1H3.
What are the key properties of 2-methylsulfonylcyclohexan-1-amine?
2-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 2-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 14615351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).