4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine

C11H24N2O2S — CID 79858261

IUPAC4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CCS(C)(=O)=O)CC1CCC(N)CC1
InChIInChI=1S/C11H24N2O2S/c1-13(7-8-16(2,14)15)9-10-3-5-11(12)6-4-10/h10-11H,3-9,12H2,1-2H3
InChIKeyYDXBNXBFOLIFJG-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.48
Rot. Bonds5

About 4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine

4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 79858261) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
PubChem CID79858261
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CCS(C)(=O)=O)CC1CCC(N)CC1
InChIInChI=1S/C11H24N2O2S/c1-13(7-8-16(2,14)15)9-10-3-5-11(12)6-4-10/h10-11H,3-9,12H2,1-2H3
InChIKeyYDXBNXBFOLIFJG-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79859494
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide
CID 79864897
2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79855043
4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
CID 79115090
N-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79858666
2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol
CID 56802566
N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 79858503
2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine
CID 51086821
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 60892926
N-methyl-3-methylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 104870274
(2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95314347

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine (CID 79858261) is 4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine is CN(CCS(C)(=O)=O)CC1CCC(N)CC1.
What is the InChIKey of 4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is YDXBNXBFOLIFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-13(7-8-16(2,14)15)9-10-3-5-11(12)6-4-10/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine?
4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 248.39 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 79858261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).