N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide

C10H20N2O3S — CID 102639130

IUPACN-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide
SMILESCN(C(=O)CS(C)(=O)=O)C1CCCCC1N
InChIInChI=1S/C10H20N2O3S/c1-12(10(13)7-16(2,14)15)9-6-4-3-5-8(9)11/h8-9H,3-7,11H2,1-2H3
InChIKeyMENYPBUKKZFWLD-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.24
Rot. Bonds3

About N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide

N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide (PubChem CID 102639130) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide
PubChem CID102639130
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide
SMILESCN(C(=O)CS(C)(=O)=O)C1CCCCC1N
InChIInChI=1S/C10H20N2O3S/c1-12(10(13)7-16(2,14)15)9-6-4-3-5-8(9)11/h8-9H,3-7,11H2,1-2H3
InChIKeyMENYPBUKKZFWLD-UHFFFAOYSA-N
XLogP-0.24
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(2-aminocyclohexyl)-N-methylcarbamate
CID 102639245
N-(2-aminocyclopentyl)-N-methylacetamide
CID 166978021
N-(2-aminocyclohexyl)-N-methyl-2-phenoxyacetamide
CID 102638826
N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 102638959
N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide
CID 162368542
N-(2-aminocyclohexyl)-N,2-dimethylpentanamide
CID 102639190
2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
CID 119803165
1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 102639224
2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide
CID 61449581
N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide
CID 136578705
N-(2-aminocyclohexyl)-2-methoxy-N,2-dimethylpropanamide
CID 103022604
N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 102639186

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide?
The IUPAC name of N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide (CID 102639130) is N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide?
The canonical SMILES for N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide is CN(C(=O)CS(C)(=O)=O)C1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide?
The InChIKey is MENYPBUKKZFWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-12(10(13)7-16(2,14)15)9-6-4-3-5-8(9)11/h8-9H,3-7,11H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide?
N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide has a molecular weight of 248.35 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide is sourced from PubChem (CID 102639130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).