[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C8H17N3O4S — CID 168681848

IUPAC[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNCC(O)CN1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C8H17N3O4S/c9-2-7(12)4-11-3-6(1-8(11)13)5-16(10,14)15/h6-7,12H,1-5,9H2,(H2,10,14,15)
InChIKeyUMUTUXUOEQOPGW-UHFFFAOYSA-N
MW251.31 g/mol
LogP-2.56
Rot. Bonds5

About [1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681848) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is [1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681848
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Name[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNCC(O)CN1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C8H17N3O4S/c9-2-7(12)4-11-3-6(1-8(11)13)5-16(10,14)15/h6-7,12H,1-5,9H2,(H2,10,14,15)
InChIKeyUMUTUXUOEQOPGW-UHFFFAOYSA-N
XLogP-2.56
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-2.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
[5-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681920
[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680213
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
CID 168658977
[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680812
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
[1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680216
1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669465
1-(2-cyclopentyl-2-hydroxyethyl)-4-ethylpyrrolidin-2-one
CID 104753333
[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680344
(2S)-2-acetamido-6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]hexanoic acid
CID 168680225

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681848) is [1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NCC(O)CN1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is UMUTUXUOEQOPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c9-2-7(12)4-11-3-6(1-8(11)13)5-16(10,14)15/h6-7,12H,1-5,9H2,(H2,10,14,15).
What are the key properties of [1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 251.31 g/mol, XLogP of -2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).