1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile

C10H10N4O2S2 — CID 106272927

IUPAC1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCNCC2C#N)s1
InChIInChI=1S/C10H10N4O2S2/c11-5-8-7-13-3-4-14(8)18(15,16)10-2-1-9(6-12)17-10/h1-2,8,13H,3-4,7H2
InChIKeyIFPZKADDWVXFQJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.11
Rot. Bonds2

About 1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile

1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile (PubChem CID 106272927) has the molecular formula C10H10N4O2S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile
PubChem CID106272927
Molecular FormulaC10H10N4O2S2
Molecular Weight282.35 g/mol
Exact Mass282.02
IUPAC Name1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCNCC2C#N)s1
InChIInChI=1S/C10H10N4O2S2/c11-5-8-7-13-3-4-14(8)18(15,16)10-2-1-9(6-12)17-10/h1-2,8,13H,3-4,7H2
InChIKeyIFPZKADDWVXFQJ-UHFFFAOYSA-N
XLogP0.11
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106273020
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile
CID 103415236
5-(1,4-diazepan-1-ylsulfonyl)thiophene-2-carbonitrile
CID 106265076
5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106272816
1-(2,3-dichlorophenyl)sulfonylpiperazine-2-carbonitrile
CID 79091610
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 114165885
1-(3-chloro-4-fluorophenyl)sulfonylpiperazine-2-carbonitrile
CID 79091604
5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106267960
1-(4-fluoro-3-nitrophenyl)sulfonylpiperazine-2-carbonitrile
CID 79095219
methyl 4-(2-cyanopiperazin-1-yl)sulfonylbenzoate
CID 79095226
1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carbonitrile
CID 79095235
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile
CID 114166079

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile?
The IUPAC name of 1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile (CID 106272927) is 1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile.
What is the SMILES notation for 1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile?
The canonical SMILES for 1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile is N#Cc1ccc(S(=O)(=O)N2CCNCC2C#N)s1.
What is the InChIKey of 1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile?
The InChIKey is IFPZKADDWVXFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S2/c11-5-8-7-13-3-4-14(8)18(15,16)10-2-1-9(6-12)17-10/h1-2,8,13H,3-4,7H2.
What are the key properties of 1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile?
1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile is sourced from PubChem (CID 106272927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).