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

C6H10N2O3S2 — CID 103868089

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C6H10N2O3S2/c1-2-13(10,11)7-3-5-4-12-6(9)8-5/h4,7H,2-3H2,1H3,(H,8,9)
InChIKeyDCQHDGNGDFLBND-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.12
Rot. Bonds4

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

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide (PubChem CID 103868089) has the molecular formula C6H10N2O3S2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
PubChem CID103868089
Molecular FormulaC6H10N2O3S2
Molecular Weight222.29 g/mol
Exact Mass222.01
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C6H10N2O3S2/c1-2-13(10,11)7-3-5-4-12-6(9)8-5/h4,7H,2-3H2,1H3,(H,8,9)
InChIKeyDCQHDGNGDFLBND-UHFFFAOYSA-N
XLogP-0.12
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.12
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]ethanesulfonamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide (CID 103868089) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The InChIKey is DCQHDGNGDFLBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S2/c1-2-13(10,11)7-3-5-4-12-6(9)8-5/h4,7H,2-3H2,1H3,(H,8,9).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide has a molecular weight of 222.29 g/mol, XLogP of -0.12, 4 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]ethanesulfonamide is sourced from PubChem (CID 103868089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).