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

C7H12N2O3S2 — CID 103868098

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H12N2O3S2/c1-5(2)14(11,12)8-3-6-4-13-7(10)9-6/h4-5,8H,3H2,1-2H3,(H,9,10)
InChIKeyHGXXEDQHJZOOPW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.26
Rot. Bonds4

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

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide (PubChem CID 103868098) has the molecular formula C7H12N2O3S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide
PubChem CID103868098
Molecular FormulaC7H12N2O3S2
Molecular Weight236.32 g/mol
Exact Mass236.03
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H12N2O3S2/c1-5(2)14(11,12)8-3-6-4-13-7(10)9-6/h4-5,8H,3H2,1-2H3,(H,9,10)
InChIKeyHGXXEDQHJZOOPW-UHFFFAOYSA-N
XLogP0.26
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.26
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]propane-2-sulfonamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide (CID 103868098) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide?
The InChIKey is HGXXEDQHJZOOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S2/c1-5(2)14(11,12)8-3-6-4-13-7(10)9-6/h4-5,8H,3H2,1-2H3,(H,9,10).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide has a molecular weight of 236.32 g/mol, XLogP of 0.26, 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]propane-2-sulfonamide is sourced from PubChem (CID 103868098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).