2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide

C14H27NO3S — CID 136534969

IUPAC2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)C1CCC(C)(C)CC1
InChIInChI=1S/C14H27NO3S/c1-5-15(6-2)13(16)11-19(17,18)12-7-9-14(3,4)10-8-12/h12H,5-11H2,1-4H3
InChIKeyCSGPNHQQBFCIMP-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.24
Rot. Bonds5

About 2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide

2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide (PubChem CID 136534969) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide
PubChem CID136534969
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)C1CCC(C)(C)CC1
InChIInChI=1S/C14H27NO3S/c1-5-15(6-2)13(16)11-19(17,18)12-7-9-14(3,4)10-8-12/h12H,5-11H2,1-4H3
InChIKeyCSGPNHQQBFCIMP-UHFFFAOYSA-N
XLogP2.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide
CID 82181301
3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide
CID 80706316
N-cyclopentyl-2-cyclopentylsulfonyl-N-methylacetamide
CID 166187779
2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid
CID 119193319
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide
CID 113147914
3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide
CID 115710436
2-cyclopentylsulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78883490
N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633769
2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
CID 119203343
2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide
CID 114233194
N-(2,4-dichlorophenyl)-2-(4,4-dimethylcyclohexyl)sulfonylacetamide
CID 154754123

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide (CID 136534969) is 2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide is CCN(CC)C(=O)CS(=O)(=O)C1CCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide?
The InChIKey is CSGPNHQQBFCIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-5-15(6-2)13(16)11-19(17,18)12-7-9-14(3,4)10-8-12/h12H,5-11H2,1-4H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide?
2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide has a molecular weight of 289.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide is sourced from PubChem (CID 136534969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).