[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C12H23N3O4S — CID 168680213

IUPAC[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC(CN1CC(CS(N)(=O)=O)CC1=O)N1CCOCC1
InChIInChI=1S/C12H23N3O4S/c1-10(14-2-4-19-5-3-14)7-15-8-11(6-12(15)16)9-20(13,17)18/h10-11H,2-9H2,1H3,(H2,13,17,18)
InChIKeyJPFZHFYQQKJQKU-UHFFFAOYSA-N
MW305.40 g/mol
LogP-1.16
Rot. Bonds5

About [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680213) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680213
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC(CN1CC(CS(N)(=O)=O)CC1=O)N1CCOCC1
InChIInChI=1S/C12H23N3O4S/c1-10(14-2-4-19-5-3-14)7-15-8-11(6-12(15)16)9-20(13,17)18/h10-11H,2-9H2,1H3,(H2,13,17,18)
InChIKeyJPFZHFYQQKJQKU-UHFFFAOYSA-N
XLogP-1.16
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

S-[[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168665888
[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681848
[5-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681920
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680344
[1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680216
(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 168680295
[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680812
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682163
4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one
CID 168683531

Frequently Asked Questions

What is the IUPAC name of [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680213) is [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is CC(CN1CC(CS(N)(=O)=O)CC1=O)N1CCOCC1.
What is the InChIKey of [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is JPFZHFYQQKJQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-10(14-2-4-19-5-3-14)7-15-8-11(6-12(15)16)9-20(13,17)18/h10-11H,2-9H2,1H3,(H2,13,17,18).
What are the key properties of [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of -1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).