3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide

C13H26N2O3S — CID 79864897

IUPAC3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide
SMILESCN(CCS(C)(=O)=O)C(=O)CCC1CCC(N)CC1
InChIInChI=1S/C13H26N2O3S/c1-15(9-10-19(2,17)18)13(16)8-5-11-3-6-12(14)7-4-11/h11-12H,3-10,14H2,1-2H3
InChIKeyUVEKGHASXUSMEG-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.79
Rot. Bonds6

About 3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide

3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide (PubChem CID 79864897) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide
PubChem CID79864897
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide
SMILESCN(CCS(C)(=O)=O)C(=O)CCC1CCC(N)CC1
InChIInChI=1S/C13H26N2O3S/c1-15(9-10-19(2,17)18)13(16)8-5-11-3-6-12(14)7-4-11/h11-12H,3-10,14H2,1-2H3
InChIKeyUVEKGHASXUSMEG-UHFFFAOYSA-N
XLogP0.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55227765
3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 106918215
4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
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3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63235356
N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide
CID 115277537
3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide
CID 55117201
N-methyl-3-methylsulfonyl-N-propylpropanamide
CID 86865992
3-(4-aminocyclohexyl)-N-ethyl-N-(2-methoxyethyl)propanamide
CID 62781132
3-(4-aminocyclohexyl)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102871199
N-(2-hydroxyethyl)-N-methyl-3-(oxan-4-yl)propanamide
CID 84578578
N-[2-(dimethylamino)ethyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 55227726
N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
CID 79859155

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of 3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide (CID 79864897) is 3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for 3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for 3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide is CN(CCS(C)(=O)=O)C(=O)CCC1CCC(N)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is UVEKGHASXUSMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-15(9-10-19(2,17)18)13(16)8-5-11-3-6-12(14)7-4-11/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide?
3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 290.43 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 79864897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).