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

C12H25NO2S — CID 118178443

IUPACN-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCCN(C)C1CCC(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-4-13(2)12-7-5-11(6-8-12)9-10-16(3,14)15/h11-12H,4-10H2,1-3H3
InChIKeyZGQCGNOKSOJCFY-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.93
Rot. Bonds5

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

N-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine (PubChem CID 118178443) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine
PubChem CID118178443
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCCN(C)C1CCC(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-4-13(2)12-7-5-11(6-8-12)9-10-16(3,14)15/h11-12H,4-10H2,1-3H3
InChIKeyZGQCGNOKSOJCFY-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine (CID 118178443) is N-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine is CCN(C)C1CCC(CCS(C)(=O)=O)CC1.
What is the InChIKey of N-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is ZGQCGNOKSOJCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-13(2)12-7-5-11(6-8-12)9-10-16(3,14)15/h11-12H,4-10H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine?
N-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 118178443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).