N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide

C5H8N2O3S — CID 139651041

IUPACN-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1=CCNC1=O
InChIInChI=1S/C5H8N2O3S/c1-11(9,10)7-4-2-3-6-5(4)8/h2,7H,3H2,1H3,(H,6,8)
InChIKeyXXAPYJQUNQOOCH-UHFFFAOYSA-N
MW176.20 g/mol
LogP-1.45
Rot. Bonds2

About N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide

N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide (PubChem CID 139651041) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide
PubChem CID139651041
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC NameN-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1=CCNC1=O
InChIInChI=1S/C5H8N2O3S/c1-11(9,10)7-4-2-3-6-5(4)8/h2,7H,3H2,1H3,(H,6,8)
InChIKeyXXAPYJQUNQOOCH-UHFFFAOYSA-N
XLogP-1.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(Z)-2-(methylamino)but-2-enoyl]amino]ethanesulfonic acid
CID 134350771
5-oxo-N-propan-2-yl-2H-1,2-thiazole-3-carboxamide
CID 172999747
5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide
CID 172999850
N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide
CID 172999878
CID 178010901
CID 178010901
N-[2-(methanesulfonamido)ethyl]but-2-enamide
CID 112727079
N-[2-(methanesulfonamido)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 113938231
CID 178010902
CID 178010902

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide?
The IUPAC name of N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide (CID 139651041) is N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide.
What is the SMILES notation for N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide?
The canonical SMILES for N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide is CS(=O)(=O)NC1=CCNC1=O.
What is the InChIKey of N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide?
The InChIKey is XXAPYJQUNQOOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c1-11(9,10)7-4-2-3-6-5(4)8/h2,7H,3H2,1H3,(H,6,8).
What are the key properties of N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide?
N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide has a molecular weight of 176.20 g/mol, XLogP of -1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide is sourced from PubChem (CID 139651041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).