1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide

C11H17N3O3S2 — CID 168717155

IUPAC1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCCc1nc(CCN2CC(S(N)(=O)=O)CC2=O)cs1
InChIInChI=1S/C11H17N3O3S2/c1-2-10-13-8(7-18-10)3-4-14-6-9(5-11(14)15)19(12,16)17/h7,9H,2-6H2,1H3,(H2,12,16,17)
InChIKeyZEXZDQNYNUWLHY-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.14
Rot. Bonds5

About 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide

1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717155) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717155
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCCc1nc(CCN2CC(S(N)(=O)=O)CC2=O)cs1
InChIInChI=1S/C11H17N3O3S2/c1-2-10-13-8(7-18-10)3-4-14-6-9(5-11(14)15)19(12,16)17/h7,9H,2-6H2,1H3,(H2,12,16,17)
InChIKeyZEXZDQNYNUWLHY-UHFFFAOYSA-N
XLogP0.14
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713827
[1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675423
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669914
(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95138021
(4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one
CID 97284135
1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717057
5-oxo-1-(3-trimethoxysilylpropyl)pyrrolidine-3-sulfonamide
CID 168717350
1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718272
1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512303
1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717537
5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 50959352
5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718437

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide (CID 168717155) is 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide is CCc1nc(CCN2CC(S(N)(=O)=O)CC2=O)cs1.
What is the InChIKey of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is ZEXZDQNYNUWLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-2-10-13-8(7-18-10)3-4-14-6-9(5-11(14)15)19(12,16)17/h7,9H,2-6H2,1H3,(H2,12,16,17).
What are the key properties of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 303.41 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).