[1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H22N2O4S — CID 168681888

IUPAC[1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(CCCCCCO)C1
InChIInChI=1S/C11H22N2O4S/c12-18(16,17)9-10-7-11(15)13(8-10)5-3-1-2-4-6-14/h10,14H,1-9H2,(H2,12,16,17)
InChIKeyCBLWWDDCRLNCNQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.32
Rot. Bonds8

About [1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681888) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is [1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681888
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name[1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(CCCCCCO)C1
InChIInChI=1S/C11H22N2O4S/c12-18(16,17)9-10-7-11(15)13(8-10)5-3-1-2-4-6-14/h10,14H,1-9H2,(H2,12,16,17)
InChIKeyCBLWWDDCRLNCNQ-UHFFFAOYSA-N
XLogP-0.32
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.32
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-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681888) is [1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(CCCCCCO)C1.
What is the InChIKey of [1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is CBLWWDDCRLNCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c12-18(16,17)9-10-7-11(15)13(8-10)5-3-1-2-4-6-14/h10,14H,1-9H2,(H2,12,16,17).
What are the key properties of [1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-hydroxyhexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).