1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol

C13H26N2O3S — CID 103834616

IUPAC1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-12(16)13-6-10-15(11-7-13)19(17,18)14-8-4-2-3-5-9-14/h12-13,16H,2-11H2,1H3
InChIKeyVJUJCHDMLSZPDB-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.20
Rot. Bonds3

About 1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol

1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol (PubChem CID 103834616) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol
PubChem CID103834616
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-12(16)13-6-10-15(11-7-13)19(17,18)14-8-4-2-3-5-9-14/h12-13,16H,2-11H2,1H3
InChIKeyVJUJCHDMLSZPDB-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol 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 1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol (CID 103834616) is 1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol?
The InChIKey is VJUJCHDMLSZPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-12(16)13-6-10-15(11-7-13)19(17,18)14-8-4-2-3-5-9-14/h12-13,16H,2-11H2,1H3.
What are the key properties of 1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol?
1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol has a molecular weight of 290.43 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 103834616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).