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

C10H21NO2S — CID 60719554

IUPAC4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCC1CCC(NCCS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-9-3-5-10(6-4-9)11-7-8-14(2,12)13/h9-11H,3-8H2,1-2H3
InChIKeyMELKQYCPBCTMQB-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds4

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

4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine (PubChem CID 60719554) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
PubChem CID60719554
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCC1CCC(NCCS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-9-3-5-10(6-4-9)11-7-8-14(2,12)13/h9-11H,3-8H2,1-2H3
InChIKeyMELKQYCPBCTMQB-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine (CID 60719554) is 4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine is CC1CCC(NCCS(C)(=O)=O)CC1.
What is the InChIKey of 4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is MELKQYCPBCTMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9-3-5-10(6-4-9)11-7-8-14(2,12)13/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 60719554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).