N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C9H14N2O3S2 — CID 60724732

IUPACN-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C9H14N2O3S2/c1-5(7-3-4-7)11-16(13,14)8-6(2)10-9(12)15-8/h5,7,11H,3-4H2,1-2H3,(H,10,12)
InChIKeyGSNGOLBXCMBIMW-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.82
Rot. Bonds4

About N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60724732) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60724732
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC NameN-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C9H14N2O3S2/c1-5(7-3-4-7)11-16(13,14)8-6(2)10-9(12)15-8/h5,7,11H,3-4H2,1-2H3,(H,10,12)
InChIKeyGSNGOLBXCMBIMW-UHFFFAOYSA-N
XLogP0.82
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60724732) is N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is GSNGOLBXCMBIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-5(7-3-4-7)11-16(13,14)8-6(2)10-9(12)15-8/h5,7,11H,3-4H2,1-2H3,(H,10,12).
What are the key properties of N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 262.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60724732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).