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

C7H12N2O3S2 — CID 103774902

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H12N2O3S2/c1-2-3-14(11,12)8-4-6-5-13-7(10)9-6/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyBONLTWYQDAAROF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.27
Rot. Bonds5

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

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide (PubChem CID 103774902) 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-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
PubChem CID103774902
Molecular FormulaC7H12N2O3S2
Molecular Weight236.32 g/mol
Exact Mass236.03
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H12N2O3S2/c1-2-3-14(11,12)8-4-6-5-13-7(10)9-6/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyBONLTWYQDAAROF-UHFFFAOYSA-N
XLogP0.27
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.27
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-1-sulfonamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide (CID 103774902) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide?
The InChIKey is BONLTWYQDAAROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S2/c1-2-3-14(11,12)8-4-6-5-13-7(10)9-6/h5,8H,2-4H2,1H3,(H,9,10).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide has a molecular weight of 236.32 g/mol, XLogP of 0.27, 5 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-1-sulfonamide is sourced from PubChem (CID 103774902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).