4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid

C10H13NO5S3 — CID 102748571

IUPAC4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N1CCS(=O)CC1
InChIInChI=1S/C10H13NO5S3/c1-7-6-17-8(10(12)13)9(7)19(15,16)11-2-4-18(14)5-3-11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyMJMPCGCDYIOZAA-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.51
Rot. Bonds3

About 4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid

4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid (PubChem CID 102748571) has the molecular formula C10H13NO5S3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid
PubChem CID102748571
Molecular FormulaC10H13NO5S3
Molecular Weight323.42 g/mol
Exact Mass323.00
IUPAC Name4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N1CCS(=O)CC1
InChIInChI=1S/C10H13NO5S3/c1-7-6-17-8(10(12)13)9(7)19(15,16)11-2-4-18(14)5-3-11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyMJMPCGCDYIOZAA-UHFFFAOYSA-N
XLogP0.51
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid (CID 102748571) is 4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)N1CCS(=O)CC1.
What is the InChIKey of 4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid?
The InChIKey is MJMPCGCDYIOZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S3/c1-7-6-17-8(10(12)13)9(7)19(15,16)11-2-4-18(14)5-3-11/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid?
4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid has a molecular weight of 323.42 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102748571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).