4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one

C13H20N2O3S2 — CID 110709082

IUPAC4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)s1
InChIInChI=1S/C13H20N2O3S2/c1-4-11-5-6-13(19-11)20(17,18)14-7-8-15(10(2)3)12(16)9-14/h5-6,10H,4,7-9H2,1-3H3
InChIKeyRHECJIAQSQRLPM-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.55
Rot. Bonds4

About 4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one

4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one (PubChem CID 110709082) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one
PubChem CID110709082
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)s1
InChIInChI=1S/C13H20N2O3S2/c1-4-11-5-6-13(19-11)20(17,18)14-7-8-15(10(2)3)12(16)9-14/h5-6,10H,4,7-9H2,1-3H3
InChIKeyRHECJIAQSQRLPM-UHFFFAOYSA-N
XLogP1.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 110708849
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 110736772
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590289
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 113074210
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine
CID 113073430
(6R)-4-(5-ethylthiophen-2-yl)sulfonyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789009
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine
CID 113075282

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one (CID 110709082) is 4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one is CCc1ccc(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one?
The InChIKey is RHECJIAQSQRLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-4-11-5-6-13(19-11)20(17,18)14-7-8-15(10(2)3)12(16)9-14/h5-6,10H,4,7-9H2,1-3H3.
What are the key properties of 4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one?
4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one has a molecular weight of 316.45 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 110709082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).