[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol

C10H21NO4S — CID 63290011

IUPAC[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol
SMILESCOCCCS(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H21NO4S/c1-15-6-3-7-16(13,14)11-5-2-4-10(8-11)9-12/h10,12H,2-9H2,1H3
InChIKeyXYPVIEOCGFARCF-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.06
Rot. Bonds6

About [1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol

[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol (PubChem CID 63290011) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is [1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol
PubChem CID63290011
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol
SMILESCOCCCS(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H21NO4S/c1-15-6-3-7-16(13,14)11-5-2-4-10(8-11)9-12/h10,12H,2-9H2,1H3
InChIKeyXYPVIEOCGFARCF-UHFFFAOYSA-N
XLogP0.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol 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-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol (CID 63290011) is [1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol is COCCCS(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of [1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol?
The InChIKey is XYPVIEOCGFARCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-15-6-3-7-16(13,14)11-5-2-4-10(8-11)9-12/h10,12H,2-9H2,1H3.
What are the key properties of [1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol?
[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol has a molecular weight of 251.35 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypropylsulfonyl)piperidin-3-yl]methanol is sourced from PubChem (CID 63290011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).