2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile

C14H21N3O2S2 — CID 63341269

IUPAC2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(S(=O)(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C14H21N3O2S2/c1-3-4-13(11-15)16-7-9-17(10-8-16)21(18,19)14-6-5-12(2)20-14/h5-6,13H,3-4,7-10H2,1-2H3
InChIKeyMKNJRZGPKBUNIZ-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.06
Rot. Bonds5

About 2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile

2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile (PubChem CID 63341269) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile
PubChem CID63341269
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC Name2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(S(=O)(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C14H21N3O2S2/c1-3-4-13(11-15)16-7-9-17(10-8-16)21(18,19)14-6-5-12(2)20-14/h5-6,13H,3-4,7-10H2,1-2H3
InChIKeyMKNJRZGPKBUNIZ-UHFFFAOYSA-N
XLogP2.06
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile
CID 63340834
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile
CID 63340783
2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 63341136
2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile
CID 63341093
4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide
CID 51935304
1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113075955
N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 17457260
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63595170
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093
ethyl 2-[4-(1-cyanobutyl)piperazin-1-yl]sulfonylacetate
CID 63341049
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile
CID 110711569

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile (CID 63341269) is 2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(S(=O)(=O)c2ccc(C)s2)CC1.
What is the InChIKey of 2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile?
The InChIKey is MKNJRZGPKBUNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-3-4-13(11-15)16-7-9-17(10-8-16)21(18,19)14-6-5-12(2)20-14/h5-6,13H,3-4,7-10H2,1-2H3.
What are the key properties of 2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile?
2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile has a molecular weight of 327.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile is sourced from PubChem (CID 63341269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).