[1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C10H20N2O4S — CID 168681890

IUPAC[1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(CCCCCO)C1
InChIInChI=1S/C10H20N2O4S/c11-17(15,16)8-9-6-10(14)12(7-9)4-2-1-3-5-13/h9,13H,1-8H2,(H2,11,15,16)
InChIKeyQUWGFXXZBMLPLE-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.71
Rot. Bonds7

About [1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681890) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is [1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681890
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name[1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(CCCCCO)C1
InChIInChI=1S/C10H20N2O4S/c11-17(15,16)8-9-6-10(14)12(7-9)4-2-1-3-5-13/h9,13H,1-8H2,(H2,11,15,16)
InChIKeyQUWGFXXZBMLPLE-UHFFFAOYSA-N
XLogP-0.71
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681890) is [1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(CCCCCO)C1.
What is the InChIKey of [1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is QUWGFXXZBMLPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c11-17(15,16)8-9-6-10(14)12(7-9)4-2-1-3-5-13/h9,13H,1-8H2,(H2,11,15,16).
What are the key properties of [1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 264.35 g/mol, XLogP of -0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-hydroxypentyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).