(1-methylsulfonylcyclohexyl)methanamine

C8H17NO2S — CID 62474898

IUPAC(1-methylsulfonylcyclohexyl)methanamine
SMILESCS(=O)(=O)C1(CN)CCCCC1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)8(7-9)5-3-2-4-6-8/h2-7,9H2,1H3
InChIKeyZGVVNNZLNGFEIY-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.69
Rot. Bonds2

About (1-methylsulfonylcyclohexyl)methanamine

(1-methylsulfonylcyclohexyl)methanamine (PubChem CID 62474898) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (1-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-methylsulfonylcyclohexyl)methanamine
PubChem CID62474898
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(1-methylsulfonylcyclohexyl)methanamine
SMILESCS(=O)(=O)C1(CN)CCCCC1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)8(7-9)5-3-2-4-6-8/h2-7,9H2,1H3
InChIKeyZGVVNNZLNGFEIY-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of (1-methylsulfonylcyclohexyl)methanamine (CID 62474898) is (1-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (1-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (1-methylsulfonylcyclohexyl)methanamine is CS(=O)(=O)C1(CN)CCCCC1.
What is the InChIKey of (1-methylsulfonylcyclohexyl)methanamine?
The InChIKey is ZGVVNNZLNGFEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-12(10,11)8(7-9)5-3-2-4-6-8/h2-7,9H2,1H3.
What are the key properties of (1-methylsulfonylcyclohexyl)methanamine?
(1-methylsulfonylcyclohexyl)methanamine has a molecular weight of 191.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 62474898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).