(3-methylsulfonylcyclohexyl)methanamine

C8H17NO2S — CID 10465161

IUPAC(3-methylsulfonylcyclohexyl)methanamine
SMILESCS(=O)(=O)C1CCCC(CN)C1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h7-8H,2-6,9H2,1H3
InChIKeyKNFDZQKBQXSATK-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.55
Rot. Bonds2

About (3-methylsulfonylcyclohexyl)methanamine

(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 10465161) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-methylsulfonylcyclohexyl)methanamine
PubChem CID10465161
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(3-methylsulfonylcyclohexyl)methanamine
SMILESCS(=O)(=O)C1CCCC(CN)C1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h7-8H,2-6,9H2,1H3
InChIKeyKNFDZQKBQXSATK-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of (3-methylsulfonylcyclohexyl)methanamine (CID 10465161) is (3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (3-methylsulfonylcyclohexyl)methanamine is CS(=O)(=O)C1CCCC(CN)C1.
What is the InChIKey of (3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is KNFDZQKBQXSATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h7-8H,2-6,9H2,1H3.
What are the key properties of (3-methylsulfonylcyclohexyl)methanamine?
(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 191.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 10465161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).