methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate

C9H12N2O4S3 — CID 113451646

IUPACmethyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C9H12N2O4S3/c1-15-8(12)7-9(17-5-10-7)18(13,14)11-6-2-3-16-4-6/h5-6,11H,2-4H2,1H3
InChIKeyWCNMXQSPECYIDQ-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.71
Rot. Bonds4

About methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate

methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate (PubChem CID 113451646) has the molecular formula C9H12N2O4S3 and a molecular weight of 308.41 g/mol. Its IUPAC name is methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate
PubChem CID113451646
Molecular FormulaC9H12N2O4S3
Molecular Weight308.41 g/mol
Exact Mass308.00
IUPAC Namemethyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C9H12N2O4S3/c1-15-8(12)7-9(17-5-10-7)18(13,14)11-6-2-3-16-4-6/h5-6,11H,2-4H2,1H3
InChIKeyWCNMXQSPECYIDQ-UHFFFAOYSA-N
XLogP0.71
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 113451667
methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate
CID 120875277
methyl 5-chlorosulfonyl-1,3-thiazole-4-carboxylate
CID 15077125
methyl 4-fluoro-2-(thiolan-3-ylsulfamoyl)benzoate
CID 103836299
ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 103064920
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 113391949
methyl 5-[[(1S,3aS)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]sulfamoyl]-1,3-thiazole-4-carboxylate
CID 99715732
methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
CID 104773158
methyl 5-(2-methylsulfinylethylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 113451632
methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 104773163
methyl 5-(1,3-thiazol-5-ylmethylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 113451668

Frequently Asked Questions

What is the IUPAC name of methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate (CID 113451646) is methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)NC1CCSC1.
What is the InChIKey of methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WCNMXQSPECYIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S3/c1-15-8(12)7-9(17-5-10-7)18(13,14)11-6-2-3-16-4-6/h5-6,11H,2-4H2,1H3.
What are the key properties of methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate?
methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate has a molecular weight of 308.41 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113451646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).