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

C11H18N2O3S2 — CID 126822873

IUPAC4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCc1[nH]c(=O)sc1S(=O)(=O)NCC1(CC)CC1
InChIInChI=1S/C11H18N2O3S2/c1-3-8-9(17-10(14)13-8)18(15,16)12-7-11(4-2)5-6-11/h12H,3-7H2,1-2H3,(H,13,14)
InChIKeyJQTBEGINUPKIOY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.47
Rot. Bonds6

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

4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 126822873) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID126822873
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCc1[nH]c(=O)sc1S(=O)(=O)NCC1(CC)CC1
InChIInChI=1S/C11H18N2O3S2/c1-3-8-9(17-10(14)13-8)18(15,16)12-7-11(4-2)5-6-11/h12H,3-7H2,1-2H3,(H,13,14)
InChIKeyJQTBEGINUPKIOY-UHFFFAOYSA-N
XLogP1.47
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 126822873) is 4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCc1[nH]c(=O)sc1S(=O)(=O)NCC1(CC)CC1.
What is the InChIKey of 4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is JQTBEGINUPKIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-3-8-9(17-10(14)13-8)18(15,16)12-7-11(4-2)5-6-11/h12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 126822873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).