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

C9H18N2O4S — CID 168681092

IUPAC[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCOCCCN1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C9H18N2O4S/c1-15-4-2-3-11-6-8(5-9(11)12)7-16(10,13)14/h8H,2-7H2,1H3,(H2,10,13,14)
InChIKeyUAJKPHYGCNZGLH-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.84
Rot. Bonds6

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

[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681092) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is [1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681092
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCOCCCN1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C9H18N2O4S/c1-15-4-2-3-11-6-8(5-9(11)12)7-16(10,13)14/h8H,2-7H2,1H3,(H2,10,13,14)
InChIKeyUAJKPHYGCNZGLH-UHFFFAOYSA-N
XLogP-0.84
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680855
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680737
[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680812
1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711428
4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 168656366
[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
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422
[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-[2-(4-tert-butylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680607

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681092) is [1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is COCCCN1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is UAJKPHYGCNZGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-15-4-2-3-11-6-8(5-9(11)12)7-16(10,13)14/h8H,2-7H2,1H3,(H2,10,13,14).
What are the key properties of [1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 250.32 g/mol, XLogP of -0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).