N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide

C5H8N2O3S2 — CID 103774898

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C5H8N2O3S2/c1-12(9,10)6-2-4-3-11-5(8)7-4/h3,6H,2H2,1H3,(H,7,8)
InChIKeyNIJRHKKIJPXJDW-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.51
Rot. Bonds3

About N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide (PubChem CID 103774898) has the molecular formula C5H8N2O3S2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide
PubChem CID103774898
Molecular FormulaC5H8N2O3S2
Molecular Weight208.26 g/mol
Exact Mass208.00
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C5H8N2O3S2/c1-12(9,10)6-2-4-3-11-5(8)7-4/h3,6H,2H2,1H3,(H,7,8)
InChIKeyNIJRHKKIJPXJDW-UHFFFAOYSA-N
XLogP-0.51
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide (CID 103774898) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide is CS(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The InChIKey is NIJRHKKIJPXJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S2/c1-12(9,10)6-2-4-3-11-5(8)7-4/h3,6H,2H2,1H3,(H,7,8).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide has a molecular weight of 208.26 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 103774898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).