N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide

C9H18N2O4S — CID 106339803

IUPACN-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CC(CO)CC1=O
InChIInChI=1S/C9H18N2O4S/c1-16(14,15)10-3-2-4-11-6-8(7-12)5-9(11)13/h8,10,12H,2-7H2,1H3
InChIKeyWWLAFJMHVBIINH-UHFFFAOYSA-N
MW250.32 g/mol
LogP-1.23
Rot. Bonds6

About N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide

N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide (PubChem CID 106339803) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
PubChem CID106339803
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC NameN-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CC(CO)CC1=O
InChIInChI=1S/C9H18N2O4S/c1-16(14,15)10-3-2-4-11-6-8(7-12)5-9(11)13/h8,10,12H,2-7H2,1H3
InChIKeyWWLAFJMHVBIINH-UHFFFAOYSA-N
XLogP-1.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.23
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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Related Compounds

1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106332650
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide
CID 168662030
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168663010
4-(hydroxymethyl)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-2-one
CID 168661946
4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
CID 168663026
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
4-(hydroxymethyl)-1-(3-phenylsulfanylpropyl)pyrrolidin-2-one
CID 168663037
S-[[1-(4-hydroxybutyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667570
1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 103465010

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide (CID 106339803) is N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide is CS(=O)(=O)NCCCN1CC(CO)CC1=O.
What is the InChIKey of N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide?
The InChIKey is WWLAFJMHVBIINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-16(14,15)10-3-2-4-11-6-8(7-12)5-9(11)13/h8,10,12H,2-7H2,1H3.
What are the key properties of N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide?
N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide has a molecular weight of 250.32 g/mol, XLogP of -1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 106339803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).