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

C8H16N2O4S — CID 168681907

IUPAC[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(CCCO)C1
InChIInChI=1S/C8H16N2O4S/c9-15(13,14)6-7-4-8(12)10(5-7)2-1-3-11/h7,11H,1-6H2,(H2,9,13,14)
InChIKeyCAYPZXVWTQUCJM-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.49
Rot. Bonds5

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

[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681907) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is [1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681907
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(CCCO)C1
InChIInChI=1S/C8H16N2O4S/c9-15(13,14)6-7-4-8(12)10(5-7)2-1-3-11/h7,11H,1-6H2,(H2,9,13,14)
InChIKeyCAYPZXVWTQUCJM-UHFFFAOYSA-N
XLogP-1.49
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680855
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911
[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680737
[5-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681920
(2S)-2-acetamido-6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]hexanoic acid
CID 168680225
[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681848
[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680812
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902
[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681654
1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681907) is [1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(CCCO)C1.
What is the InChIKey of [1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is CAYPZXVWTQUCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c9-15(13,14)6-7-4-8(12)10(5-7)2-1-3-11/h7,11H,1-6H2,(H2,9,13,14).
What are the key properties of [1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 236.29 g/mol, XLogP of -1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).