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

C6H7N3O3S2 — CID 103868100

IUPAC1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C6H7N3O3S2/c7-1-2-14(11,12)8-3-5-4-13-6(10)9-5/h4,8H,2-3H2,(H,9,10)
InChIKeyVWPVOCOFOXOVPF-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.62
Rot. Bonds4

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

1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide (PubChem CID 103868100) has the molecular formula C6H7N3O3S2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide
PubChem CID103868100
Molecular FormulaC6H7N3O3S2
Molecular Weight233.27 g/mol
Exact Mass232.99
IUPAC Name1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C6H7N3O3S2/c7-1-2-14(11,12)8-3-5-4-13-6(10)9-5/h4,8H,2-3H2,(H,9,10)
InChIKeyVWPVOCOFOXOVPF-UHFFFAOYSA-N
XLogP-0.62
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide (CID 103868100) is 1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide is N#CCS(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The InChIKey is VWPVOCOFOXOVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S2/c7-1-2-14(11,12)8-3-5-4-13-6(10)9-5/h4,8H,2-3H2,(H,9,10).
What are the key properties of 1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide?
1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide has a molecular weight of 233.27 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 103868100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).