2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide

C12H25NO4S — CID 64729428

IUPAC2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide
SMILESCC1CC(C)CC(OCCOCCS(N)(=O)=O)C1
InChIInChI=1S/C12H25NO4S/c1-10-7-11(2)9-12(8-10)17-4-3-16-5-6-18(13,14)15/h10-12H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyDFNZPRIWXHGTND-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.13
Rot. Bonds7

About 2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide

2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide (PubChem CID 64729428) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide
PubChem CID64729428
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide
SMILESCC1CC(C)CC(OCCOCCS(N)(=O)=O)C1
InChIInChI=1S/C12H25NO4S/c1-10-7-11(2)9-12(8-10)17-4-3-16-5-6-18(13,14)15/h10-12H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyDFNZPRIWXHGTND-UHFFFAOYSA-N
XLogP1.13
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethylcyclohexyl)oxypropanal
CID 64729407
3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide
CID 64750648
[4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
CID 65006202
N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide
CID 170420294
2-amino-4-(3,5-dimethylcyclohexyl)oxybutanenitrile
CID 64728636
1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine
CID 107506880
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608707
methyl 3-(3-methylcyclobutyl)oxypropanoate
CID 170036663
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine
CID 64730061
4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide
CID 64729054
5-(3-methylcyclobutyl)oxypentan-1-ol
CID 134489229
5-(oxetan-3-yloxy)pentane-1-sulfonamide
CID 102608527

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide?
The IUPAC name of 2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide (CID 64729428) is 2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide.
What is the SMILES notation for 2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide?
The canonical SMILES for 2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide is CC1CC(C)CC(OCCOCCS(N)(=O)=O)C1.
What is the InChIKey of 2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide?
The InChIKey is DFNZPRIWXHGTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-10-7-11(2)9-12(8-10)17-4-3-16-5-6-18(13,14)15/h10-12H,3-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide?
2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide has a molecular weight of 279.40 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide is sourced from PubChem (CID 64729428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).