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

C9H14N2O5S3 — CID 60724014

IUPAC4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C9H14N2O5S3/c1-6-7(17-8(12)10-6)19(15,16)11-9(2)3-4-18(13,14)5-9/h11H,3-5H2,1-2H3,(H,10,12)
InChIKeyTYJMHHUWGZWCIE-UHFFFAOYSA-N
MW326.42 g/mol
LogP-0.40
Rot. Bonds3

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

4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60724014) has the molecular formula C9H14N2O5S3 and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60724014
Molecular FormulaC9H14N2O5S3
Molecular Weight326.42 g/mol
Exact Mass326.01
IUPAC Name4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C9H14N2O5S3/c1-6-7(17-8(12)10-6)19(15,16)11-9(2)3-4-18(13,14)5-9/h11H,3-5H2,1-2H3,(H,10,12)
InChIKeyTYJMHHUWGZWCIE-UHFFFAOYSA-N
XLogP-0.40
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60724014) is 4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is TYJMHHUWGZWCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S3/c1-6-7(17-8(12)10-6)19(15,16)11-9(2)3-4-18(13,14)5-9/h11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60724014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).