N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide

C8H16N2O3S — CID 71789166

IUPACN-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CC(=O)N(C)C1
InChIInChI=1S/C8H16N2O3S/c1-3-4-14(12,13)9-7-5-8(11)10(2)6-7/h7,9H,3-6H2,1-2H3
InChIKeyFMAIHKNFUMRUNA-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.45
Rot. Bonds4

About N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide

N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide (PubChem CID 71789166) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide
PubChem CID71789166
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CC(=O)N(C)C1
InChIInChI=1S/C8H16N2O3S/c1-3-4-14(12,13)9-7-5-8(11)10(2)6-7/h7,9H,3-6H2,1-2H3
InChIKeyFMAIHKNFUMRUNA-UHFFFAOYSA-N
XLogP-0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide
CID 75454845
N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
CID 95969047
(3S)-N-(2-methylpropylsulfonyl)-1-propanoylpyrrolidine-3-carboxamide
CID 164637647
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide
CID 164639979
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide
CID 140917573
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide
CID 45200775
4-[(2-Methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 84597123
(4R)-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97611370
(4S)-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97611371
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S,4S)-4-fluoro-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 137968279
4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
CID 139017735
3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
CID 146105210

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide?
The IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide (CID 71789166) is N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CC(=O)N(C)C1.
What is the InChIKey of N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide?
The InChIKey is FMAIHKNFUMRUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-3-4-14(12,13)9-7-5-8(11)10(2)6-7/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide?
N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 71789166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).