4-(2-methylsulfonylethyl)cyclohexan-1-amine

C9H19NO2S — CID 67324712

IUPAC4-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)CCC1CCC(N)CC1
InChIInChI=1S/C9H19NO2S/c1-13(11,12)7-6-8-2-4-9(10)5-3-8/h8-9H,2-7,10H2,1H3
InChIKeyZPWMIMZUHGWGSC-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.94
Rot. Bonds3

About 4-(2-methylsulfonylethyl)cyclohexan-1-amine

4-(2-methylsulfonylethyl)cyclohexan-1-amine (PubChem CID 67324712) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-(2-methylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylsulfonylethyl)cyclohexan-1-amine
PubChem CID67324712
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)CCC1CCC(N)CC1
InChIInChI=1S/C9H19NO2S/c1-13(11,12)7-6-8-2-4-9(10)5-3-8/h8-9H,2-7,10H2,1H3
InChIKeyZPWMIMZUHGWGSC-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylsulfonylethyl)cyclohexan-1-amine (CID 67324712) is 4-(2-methylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylsulfonylethyl)cyclohexan-1-amine is CS(=O)(=O)CCC1CCC(N)CC1.
What is the InChIKey of 4-(2-methylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is ZPWMIMZUHGWGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-13(11,12)7-6-8-2-4-9(10)5-3-8/h8-9H,2-7,10H2,1H3.
What are the key properties of 4-(2-methylsulfonylethyl)cyclohexan-1-amine?
4-(2-methylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 67324712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).