N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H22N2O3S2 — CID 54884043

IUPACN-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C12H22N2O3S2/c1-5-10(6-2)8-14(7-3)19(16,17)11-9(4)13-12(15)18-11/h10H,5-8H2,1-4H3,(H,13,15)
InChIKeyXDXQEFDCHQAHMO-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.19
Rot. Bonds7

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

N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54884043) has the molecular formula C12H22N2O3S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID54884043
Molecular FormulaC12H22N2O3S2
Molecular Weight306.45 g/mol
Exact Mass306.11
IUPAC NameN-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C12H22N2O3S2/c1-5-10(6-2)8-14(7-3)19(16,17)11-9(4)13-12(15)18-11/h10H,5-8H2,1-4H3,(H,13,15)
InChIKeyXDXQEFDCHQAHMO-UHFFFAOYSA-N
XLogP2.19
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 54884043) is N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCC(CC)CN(CC)S(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is XDXQEFDCHQAHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S2/c1-5-10(6-2)8-14(7-3)19(16,17)11-9(4)13-12(15)18-11/h10H,5-8H2,1-4H3,(H,13,15).
What are the key properties of N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 306.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54884043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).