4-methyl-3-methylsulfonylcyclohexan-1-amine

C8H17NO2S — CID 162728176

IUPAC4-methyl-3-methylsulfonylcyclohexan-1-amine
SMILESCC1CCC(N)CC1S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-6-3-4-7(9)5-8(6)12(2,10)11/h6-8H,3-5,9H2,1-2H3
InChIKeyGICYLWWNHLPMAO-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.55
Rot. Bonds1

About 4-methyl-3-methylsulfonylcyclohexan-1-amine

4-methyl-3-methylsulfonylcyclohexan-1-amine (PubChem CID 162728176) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-methyl-3-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-3-methylsulfonylcyclohexan-1-amine
PubChem CID162728176
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-methyl-3-methylsulfonylcyclohexan-1-amine
SMILESCC1CCC(N)CC1S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-6-3-4-7(9)5-8(6)12(2,10)11/h6-8H,3-5,9H2,1-2H3
InChIKeyGICYLWWNHLPMAO-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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-methyl-3-methylsulfonylcyclohexan-1-amine?
The IUPAC name of 4-methyl-3-methylsulfonylcyclohexan-1-amine (CID 162728176) is 4-methyl-3-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-3-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-3-methylsulfonylcyclohexan-1-amine is CC1CCC(N)CC1S(C)(=O)=O.
What is the InChIKey of 4-methyl-3-methylsulfonylcyclohexan-1-amine?
The InChIKey is GICYLWWNHLPMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6-3-4-7(9)5-8(6)12(2,10)11/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 4-methyl-3-methylsulfonylcyclohexan-1-amine?
4-methyl-3-methylsulfonylcyclohexan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 162728176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).