4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C8H13N3O4S2 — CID 83022595

IUPAC4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NN1CCOCC1
InChIInChI=1S/C8H13N3O4S2/c1-6-7(16-8(12)9-6)17(13,14)10-11-2-4-15-5-3-11/h10H,2-5H2,1H3,(H,9,12)
InChIKeyGYTRBTYXBFOGKW-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.73
Rot. Bonds3

About 4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide

4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 83022595) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID83022595
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC Name4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NN1CCOCC1
InChIInChI=1S/C8H13N3O4S2/c1-6-7(16-8(12)9-6)17(13,14)10-11-2-4-15-5-3-11/h10H,2-5H2,1H3,(H,9,12)
InChIKeyGYTRBTYXBFOGKW-UHFFFAOYSA-N
XLogP-0.73
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 83022595) is 4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NN1CCOCC1.
What is the InChIKey of 4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is GYTRBTYXBFOGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c1-6-7(16-8(12)9-6)17(13,14)10-11-2-4-15-5-3-11/h10H,2-5H2,1H3,(H,9,12).
What are the key properties of 4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 279.34 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-morpholin-4-yl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 83022595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).