3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile

C11H14ClN3O2S2 — CID 9304441

IUPAC3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile
SMILESN#CCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H14ClN3O2S2/c12-10-2-3-11(18-10)19(16,17)15-8-6-14(7-9-15)5-1-4-13/h2-3H,1,5-9H2
InChIKeyRVMREJLWMGRERK-UHFFFAOYSA-N
MW319.84 g/mol
LogP1.62
Rot. Bonds4

About 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile

3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile (PubChem CID 9304441) has the molecular formula C11H14ClN3O2S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile
PubChem CID9304441
Molecular FormulaC11H14ClN3O2S2
Molecular Weight319.84 g/mol
Exact Mass319.02
IUPAC Name3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile
SMILESN#CCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H14ClN3O2S2/c12-10-2-3-11(18-10)19(16,17)15-8-6-14(7-9-15)5-1-4-13/h2-3H,1,5-9H2
InChIKeyRVMREJLWMGRERK-UHFFFAOYSA-N
XLogP1.62
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-Chloro-2-thienyl)sulfonyl]-4-methylpiperazine
CID 778335
2-Chloro-5-(piperidylsulfonyl)thiophene
CID 1541659
1-[(5-Chlorothien-2-yl)sulfonyl]piperazine
CID 3863656
[(5-Chloro(2-thienyl))sulfonyl](4-methylpiperazinyl)amine
CID 1236547
1-(5-Chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6465014
1-[(5-Chlorothiophen-2-yl)sulfonyl]piperazine hydrochloride
CID 53444390
1-[4-(5-Chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 2566008
1-Butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 6464993
1-(2,5-Dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine
CID 78797712
1-(5-Chlorothiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 49720678
4-(2,5-Dichlorothiophen-3-yl)sulfonylthiomorpholine
CID 3344391
1,4-Bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine
CID 5059986

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile (CID 9304441) is 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile is N#CCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile?
The InChIKey is RVMREJLWMGRERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S2/c12-10-2-3-11(18-10)19(16,17)15-8-6-14(7-9-15)5-1-4-13/h2-3H,1,5-9H2.
What are the key properties of 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile?
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile has a molecular weight of 319.84 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile is sourced from PubChem (CID 9304441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).