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

C10H18N2O3S2 — CID 54884469

IUPAC4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)CC(C)C
InChIInChI=1S/C10H18N2O3S2/c1-6(2)5-7(3)12-17(14,15)9-8(4)11-10(13)16-9/h6-7,12H,5H2,1-4H3,(H,11,13)
InChIKeySCTPFILXZMFEGR-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.46
Rot. Bonds5

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

4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54884469) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID54884469
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC Name4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)CC(C)C
InChIInChI=1S/C10H18N2O3S2/c1-6(2)5-7(3)12-17(14,15)9-8(4)11-10(13)16-9/h6-7,12H,5H2,1-4H3,(H,11,13)
InChIKeySCTPFILXZMFEGR-UHFFFAOYSA-N
XLogP1.46
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 54884469) is 4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC(C)CC(C)C.
What is the InChIKey of 4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is SCTPFILXZMFEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-6(2)5-7(3)12-17(14,15)9-8(4)11-10(13)16-9/h6-7,12H,5H2,1-4H3,(H,11,13).
What are the key properties of 4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 278.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54884469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).