2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile

C12H16ClN3O2S2 — CID 63340783

IUPAC2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H16ClN3O2S2/c1-2-10(9-14)15-5-7-16(8-6-15)20(17,18)12-4-3-11(13)19-12/h3-4,10H,2,5-8H2,1H3
InChIKeyPQMKGSUMWWEGIE-UHFFFAOYSA-N
MW333.87 g/mol
LogP2.01
Rot. Bonds4

About 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile (PubChem CID 63340783) has the molecular formula C12H16ClN3O2S2 and a molecular weight of 333.87 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile
PubChem CID63340783
Molecular FormulaC12H16ClN3O2S2
Molecular Weight333.87 g/mol
Exact Mass333.04
IUPAC Name2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H16ClN3O2S2/c1-2-10(9-14)15-5-7-16(8-6-15)20(17,18)12-4-3-11(13)19-12/h3-4,10H,2,5-8H2,1H3
InChIKeyPQMKGSUMWWEGIE-UHFFFAOYSA-N
XLogP2.01
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile 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

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile
CID 63340834
2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile
CID 63341269
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropanenitrile
CID 60676123
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]butanenitrile
CID 104709878
1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 113074876
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
(2S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 9304383
1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075957
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 78773434
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile (CID 63340783) is 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile?
The InChIKey is PQMKGSUMWWEGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S2/c1-2-10(9-14)15-5-7-16(8-6-15)20(17,18)12-4-3-11(13)19-12/h3-4,10H,2,5-8H2,1H3.
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile?
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile has a molecular weight of 333.87 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile is sourced from PubChem (CID 63340783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).