N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C8H14N2O3S2 — CID 60723564

IUPACN-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H14N2O3S2/c1-5-6(14-7(11)9-5)15(12,13)10-8(2,3)4/h10H,1-4H3,(H,9,11)
InChIKeyIXDCEBVAVCTKNE-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.82
Rot. Bonds2

About N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60723564) has the molecular formula C8H14N2O3S2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60723564
Molecular FormulaC8H14N2O3S2
Molecular Weight250.34 g/mol
Exact Mass250.04
IUPAC NameN-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H14N2O3S2/c1-5-6(14-7(11)9-5)15(12,13)10-8(2,3)4/h10H,1-4H3,(H,9,11)
InChIKeyIXDCEBVAVCTKNE-UHFFFAOYSA-N
XLogP0.82
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60723564) is N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is IXDCEBVAVCTKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S2/c1-5-6(14-7(11)9-5)15(12,13)10-8(2,3)4/h10H,1-4H3,(H,9,11).
What are the key properties of N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 250.34 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60723564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).