4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

C9H14N2O3S3 — CID 114117389

IUPAC4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2sc(=O)[nH]c2C)CC1
InChIInChI=1S/C9H14N2O3S3/c1-6-7(16-8(12)11-6)17(13,14)10-5-9(15-2)3-4-9/h10H,3-5H2,1-2H3,(H,11,12)
InChIKeyQPNVVNOMWCUISX-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.92
Rot. Bonds5

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

4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 114117389) has the molecular formula C9H14N2O3S3 and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID114117389
Molecular FormulaC9H14N2O3S3
Molecular Weight294.42 g/mol
Exact Mass294.02
IUPAC Name4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2sc(=O)[nH]c2C)CC1
InChIInChI=1S/C9H14N2O3S3/c1-6-7(16-8(12)11-6)17(13,14)10-5-9(15-2)3-4-9/h10H,3-5H2,1-2H3,(H,11,12)
InChIKeyQPNVVNOMWCUISX-UHFFFAOYSA-N
XLogP0.92
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(1-methylcyclopentyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63831628
N-[(1-hydroxycyclopentyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 65108721
N-(2-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63731283
N-[2-(cyclopropylamino)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 62662828
N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723564
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 130964713
4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
CID 80613260
4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63244688
N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63253510
N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54912813
N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 106290415
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984797

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 114117389) is 4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is CSC1(CNS(=O)(=O)c2sc(=O)[nH]c2C)CC1.
What is the InChIKey of 4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is QPNVVNOMWCUISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S3/c1-6-7(16-8(12)11-6)17(13,14)10-5-9(15-2)3-4-9/h10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 114117389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).