1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid

C12H23NO4S — CID 79859219

IUPAC1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CCS(C)(=O)=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H23NO4S/c1-13(8-9-18(2,16)17)10-12(11(14)15)6-4-3-5-7-12/h3-10H2,1-2H3,(H,14,15)
InChIKeyCYFUEFJJBOHMBV-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.00
Rot. Bonds6

About 1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79859219) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79859219
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CCS(C)(=O)=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H23NO4S/c1-13(8-9-18(2,16)17)10-12(11(14)15)6-4-3-5-7-12/h3-10H2,1-2H3,(H,14,15)
InChIKeyCYFUEFJJBOHMBV-UHFFFAOYSA-N
XLogP1.00
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271739
1-[[3-methoxypropyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63008835
1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63211004
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclobutan-1-amine
CID 81170494
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine
CID 79858912
1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271764
2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 79842792
1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
[3-[[methyl(2-methylsulfonylethyl)amino]methyl]oxan-3-yl]methanol
CID 79858292
1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270655

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79859219) is 1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid is CN(CCS(C)(=O)=O)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is CYFUEFJJBOHMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-13(8-9-18(2,16)17)10-12(11(14)15)6-4-3-5-7-12/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 277.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79859219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).