3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide

C12H18N2O4S3 — CID 3952102

IUPAC3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCN(S(=O)(=O)c3cccs3)CC2)C1
InChIInChI=1S/C12H18N2O4S3/c15-20(16)9-3-11(10-20)13-4-6-14(7-5-13)21(17,18)12-2-1-8-19-12/h1-2,8,11H,3-7,9-10H2
InChIKeyOYUSMOAZKLEEAK-UHFFFAOYSA-N
MW350.49 g/mol
LogP0.24
Rot. Bonds3

About 3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide

3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide (PubChem CID 3952102) has the molecular formula C12H18N2O4S3 and a molecular weight of 350.49 g/mol. Its IUPAC name is 3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide
PubChem CID3952102
Molecular FormulaC12H18N2O4S3
Molecular Weight350.49 g/mol
Exact Mass350.04
IUPAC Name3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCN(S(=O)(=O)c3cccs3)CC2)C1
InChIInChI=1S/C12H18N2O4S3/c15-20(16)9-3-11(10-20)13-4-6-14(7-5-13)21(17,18)12-2-1-8-19-12/h1-2,8,11H,3-7,9-10H2
InChIKeyOYUSMOAZKLEEAK-UHFFFAOYSA-N
XLogP0.24
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide 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

1,4-Bis(thiophen-2-ylsulfonyl)piperazine
CID 1034118
1-Ethyl-4-(2-thienylsulfonyl)piperazine
CID 703790
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylthiophene-2-sulfonamide
CID 2972431
Sulfoximine, S,S-di-2-thienyl-N-(2-(1-piperidinyl)ethyl)-
CID 3054384
N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide
CID 18573646
N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)thiophene-2-sulfonamide
CID 18573647
N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
CID 830219
1-Methyl-4-(2-thienylsulfonyl)piperazine
CID 2870299
2,5-Dimethyl-1,4-bis(2-thienylsulfonyl)piperazine
CID 2943723
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 4882573
2-{[4-(Butylsulfonyl)piperazinyl]sulfonyl}thiophene
CID 6464966
N-[3-[4-[3-(thiophen-2-ylsulfonylamino)propyl]piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 137652532

Frequently Asked Questions

What is the IUPAC name of 3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide (CID 3952102) is 3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(N2CCN(S(=O)(=O)c3cccs3)CC2)C1.
What is the InChIKey of 3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide?
The InChIKey is OYUSMOAZKLEEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S3/c15-20(16)9-3-11(10-20)13-4-6-14(7-5-13)21(17,18)12-2-1-8-19-12/h1-2,8,11H,3-7,9-10H2.
What are the key properties of 3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide?
3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide has a molecular weight of 350.49 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 3952102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).