3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide

C13H27NO3S — CID 64999379

IUPAC3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide
SMILESCCC1CCCCC1OCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C13H27NO3S/c1-4-11-7-5-6-8-12(11)17-9-13(2,3)10-18(14,15)16/h11-12H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyZIEXAGROXLUTOE-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.29
Rot. Bonds6

About 3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide

3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide (PubChem CID 64999379) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide
PubChem CID64999379
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide
SMILESCCC1CCCCC1OCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C13H27NO3S/c1-4-11-7-5-6-8-12(11)17-9-13(2,3)10-18(14,15)16/h11-12H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyZIEXAGROXLUTOE-UHFFFAOYSA-N
XLogP2.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide
CID 64999381
ethyl 2-(2-ethylcyclohexyl)oxyacetate
CID 43119660
(2-ethylcyclohexyl) 2-amino-3-methylbutanoate
CID 61277440
3-(2-ethylcyclohexyl)oxypropanal
CID 63041156
2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propan-1-ol
CID 64804840
N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
CID 55072973
ethyl 3-(2-ethylcyclohexyl)oxypropanoate
CID 43365260
N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
CID 62444924
(2-ethylcyclohexyl) 2-aminopropanoate
CID 61277036
1-cyclopentyl-2-(2-ethylcyclohexyl)oxyethanone
CID 104751673
2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile
CID 63907964
1-ethyl-2-hydroperoxycyclohexane
CID 175085860

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide (CID 64999379) is 3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide is CCC1CCCCC1OCC(C)(C)CS(N)(=O)=O.
What is the InChIKey of 3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is ZIEXAGROXLUTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-4-11-7-5-6-8-12(11)17-9-13(2,3)10-18(14,15)16/h11-12H,4-10H2,1-3H3,(H2,14,15,16).
What are the key properties of 3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide?
3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 64999379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).