4-(methylsulfonylmethyl)cyclohexan-1-amine

C8H17NO2S — CID 58345904

IUPAC4-(methylsulfonylmethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)CC1CCC(N)CC1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)6-7-2-4-8(9)5-3-7/h7-8H,2-6,9H2,1H3
InChIKeyISVAEECBNYJRAX-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.55
Rot. Bonds2

About 4-(methylsulfonylmethyl)cyclohexan-1-amine

4-(methylsulfonylmethyl)cyclohexan-1-amine (PubChem CID 58345904) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)cyclohexan-1-amine
PubChem CID58345904
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-(methylsulfonylmethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)CC1CCC(N)CC1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)6-7-2-4-8(9)5-3-7/h7-8H,2-6,9H2,1H3
InChIKeyISVAEECBNYJRAX-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 4-(methylsulfonylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-(methylsulfonylmethyl)cyclohexan-1-amine (CID 58345904) is 4-(methylsulfonylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(methylsulfonylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(methylsulfonylmethyl)cyclohexan-1-amine is CS(=O)(=O)CC1CCC(N)CC1.
What is the InChIKey of 4-(methylsulfonylmethyl)cyclohexan-1-amine?
The InChIKey is ISVAEECBNYJRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-12(10,11)6-7-2-4-8(9)5-3-7/h7-8H,2-6,9H2,1H3.
What are the key properties of 4-(methylsulfonylmethyl)cyclohexan-1-amine?
4-(methylsulfonylmethyl)cyclohexan-1-amine 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 4-(methylsulfonylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 58345904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).