2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide

C7H10N2O2S2 — CID 91956225

IUPAC2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide
SMILESC=C(C)CS(=O)(=O)Nc1nccs1
InChIInChI=1S/C7H10N2O2S2/c1-6(2)5-13(10,11)9-7-8-3-4-12-7/h3-4H,1,5H2,2H3,(H,8,9)
InChIKeyYNFDXZXCXGDWPV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.46
Rot. Bonds4

About 2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide

2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide (PubChem CID 91956225) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide
PubChem CID91956225
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide
SMILESC=C(C)CS(=O)(=O)Nc1nccs1
InChIInChI=1S/C7H10N2O2S2/c1-6(2)5-13(10,11)9-7-8-3-4-12-7/h3-4H,1,5H2,2H3,(H,8,9)
InChIKeyYNFDXZXCXGDWPV-UHFFFAOYSA-N
XLogP1.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(1,3-thiazol-2-yl)ethanesulfonamide
CID 79588617
4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 116814761
N-(ethylsulfamoyl)-1,3-thiazol-2-amine
CID 89126853
4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 106031673
N-(1,3-thiazol-2-yl)sulfamate
CID 59847899
1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide
CID 106031789
2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole
CID 106031702
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide
CID 106337764
2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid
CID 61266713
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 86910837
4-N-(2-methoxyethyl)-4-N-methyl-1-N-(1,3-thiazol-2-yl)benzene-1,4-disulfonamide
CID 91648877

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide?
The IUPAC name of 2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide (CID 91956225) is 2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide is C=C(C)CS(=O)(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide?
The InChIKey is YNFDXZXCXGDWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-6(2)5-13(10,11)9-7-8-3-4-12-7/h3-4H,1,5H2,2H3,(H,8,9).
What are the key properties of 2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide?
2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide has a molecular weight of 218.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 91956225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).