3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile

C16H23N3O2S2 — CID 119050312

IUPAC3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile
SMILESCc1cc(S(=O)(=O)N2CCN(C3CCC(C#N)C3)CC2)c(C)s1
InChIInChI=1S/C16H23N3O2S2/c1-12-9-16(13(2)22-12)23(20,21)19-7-5-18(6-8-19)15-4-3-14(10-15)11-17/h9,14-15H,3-8,10H2,1-2H3
InChIKeyJMZDWWRQXKGWNA-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.36
Rot. Bonds3

About 3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile

3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile (PubChem CID 119050312) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile
PubChem CID119050312
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC Name3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile
SMILESCc1cc(S(=O)(=O)N2CCN(C3CCC(C#N)C3)CC2)c(C)s1
InChIInChI=1S/C16H23N3O2S2/c1-12-9-16(13(2)22-12)23(20,21)19-7-5-18(6-8-19)15-4-3-14(10-15)11-17/h9,14-15H,3-8,10H2,1-2H3
InChIKeyJMZDWWRQXKGWNA-UHFFFAOYSA-N
XLogP2.36
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile (CID 119050312) is 3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile is Cc1cc(S(=O)(=O)N2CCN(C3CCC(C#N)C3)CC2)c(C)s1.
What is the InChIKey of 3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is JMZDWWRQXKGWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-12-9-16(13(2)22-12)23(20,21)19-7-5-18(6-8-19)15-4-3-14(10-15)11-17/h9,14-15H,3-8,10H2,1-2H3.
What are the key properties of 3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile?
3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 353.51 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 119050312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).