2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide

C13H27NO3S — CID 64998396

IUPAC2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide
SMILESCCC1CCCC(OCC(CC)CS(N)(=O)=O)C1
InChIInChI=1S/C13H27NO3S/c1-3-11-6-5-7-13(8-11)17-9-12(4-2)10-18(14,15)16/h11-13H,3-10H2,1-2H3,(H2,14,15,16)
InChIKeyVWVGCIZIXIJDFQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.29
Rot. Bonds7

About 2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide

2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide (PubChem CID 64998396) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide
PubChem CID64998396
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide
SMILESCCC1CCCC(OCC(CC)CS(N)(=O)=O)C1
InChIInChI=1S/C13H27NO3S/c1-3-11-6-5-7-13(8-11)17-9-12(4-2)10-18(14,15)16/h11-13H,3-10H2,1-2H3,(H2,14,15,16)
InChIKeyVWVGCIZIXIJDFQ-UHFFFAOYSA-N
XLogP2.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze 2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide?
The IUPAC name of 2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide (CID 64998396) is 2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide.
What is the SMILES notation for 2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide?
The canonical SMILES for 2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide is CCC1CCCC(OCC(CC)CS(N)(=O)=O)C1.
What is the InChIKey of 2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide?
The InChIKey is VWVGCIZIXIJDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-3-11-6-5-7-13(8-11)17-9-12(4-2)10-18(14,15)16/h11-13H,3-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide?
2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclohexyl)oxymethyl]butane-1-sulfonamide is sourced from PubChem (CID 64998396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).