N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide

C14H27NO3S — CID 136578705

IUPACN-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide
SMILESCN(C(=O)CS(C)(=O)=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO3S/c1-14(2,3)11-6-8-12(9-7-11)15(4)13(16)10-19(5,17)18/h11-12H,6-10H2,1-5H3
InChIKeyJOWYJURUABYRKO-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.09
Rot. Bonds3

About N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide

N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide (PubChem CID 136578705) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide
PubChem CID136578705
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide
SMILESCN(C(=O)CS(C)(=O)=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO3S/c1-14(2,3)11-6-8-12(9-7-11)15(4)13(16)10-19(5,17)18/h11-12H,6-10H2,1-5H3
InChIKeyJOWYJURUABYRKO-UHFFFAOYSA-N
XLogP2.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide
CID 102639130
2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide
CID 81188098
N-cyclopentyl-2-cyclopentylsulfonyl-N-methylacetamide
CID 166187779
2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide
CID 172511649
N-cyclopropyl-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)acetamide
CID 64643192
2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide
CID 81202470
2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid
CID 81229082
N-cyclopropyl-N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 75502533
2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid
CID 65067690
3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 54935093
N-methyl-3-methylsulfonyl-N-piperidin-4-ylpropanamide
CID 61003895
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 61489399

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide (CID 136578705) is N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide is CN(C(=O)CS(C)(=O)=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide?
The InChIKey is JOWYJURUABYRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-14(2,3)11-6-8-12(9-7-11)15(4)13(16)10-19(5,17)18/h11-12H,6-10H2,1-5H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide?
N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide has a molecular weight of 289.44 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide is sourced from PubChem (CID 136578705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).