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

C10H21NO2S — CID 60920379

IUPAC3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCC1CCCC(NCCS(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-9-4-3-5-10(8-9)11-6-7-14(2,12)13/h9-11H,3-8H2,1-2H3
InChIKeyWWDWKJHDROUTJF-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds4

About 3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine

3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine (PubChem CID 60920379) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
PubChem CID60920379
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCC1CCCC(NCCS(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-9-4-3-5-10(8-9)11-6-7-14(2,12)13/h9-11H,3-8H2,1-2H3
InChIKeyWWDWKJHDROUTJF-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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Related Compounds

1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine
CID 79459348
3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine
CID 107757350
4-methyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65080083
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
3-methyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106724576
1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 81332995
3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 60889312
N-(2-cycloheptyloxyethyl)-3-methylcyclohexan-1-amine
CID 62585347
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 60701471
N-(2-propan-2-ylsulfonylethyl)cyclobutanamine
CID 106723621

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine (CID 60920379) is 3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine is CC1CCCC(NCCS(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is WWDWKJHDROUTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9-4-3-5-10(8-9)11-6-7-14(2,12)13/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
3-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 3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 60920379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).