3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide

C12H24N2O3S — CID 79863893

IUPAC3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)C1CCCC(CN)C1
InChIInChI=1S/C12H24N2O3S/c1-14(6-7-18(2,16)17)12(15)11-5-3-4-10(8-11)9-13/h10-11H,3-9,13H2,1-2H3
InChIKeyMSZRONBMYLJRLK-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.25
Rot. Bonds5

About 3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide

3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide (PubChem CID 79863893) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide
PubChem CID79863893
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)C1CCCC(CN)C1
InChIInChI=1S/C12H24N2O3S/c1-14(6-7-18(2,16)17)12(15)11-5-3-4-10(8-11)9-13/h10-11H,3-9,13H2,1-2H3
InChIKeyMSZRONBMYLJRLK-UHFFFAOYSA-N
XLogP0.25
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074510
3-[methyl(2-methylsulfonylethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550921
3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102998102
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
3-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 83618379
3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 102871203
(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 172529377
trans-(1R,3R)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 18632959
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
N-(5-aminopentyl)-N-methylcyclobutanecarboxamide
CID 107206716
methyl 3-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 154562144

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide (CID 79863893) is 3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide is CN(CCS(C)(=O)=O)C(=O)C1CCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide?
The InChIKey is MSZRONBMYLJRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-14(6-7-18(2,16)17)12(15)11-5-3-4-10(8-11)9-13/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide?
3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79863893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).