5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile

C10H13N3O2S2 — CID 106273020

IUPAC5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
SMILESC[C@H]1CNCCN1S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H13N3O2S2/c1-8-7-12-4-5-13(8)17(14,15)10-3-2-9(6-11)16-10/h2-3,8,12H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyPJSIJGZPVBNWDW-QMMMGPOBSA-N
MW271.37 g/mol
LogP0.60
Rot. Bonds2

About 5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile

5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile (PubChem CID 106273020) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
PubChem CID106273020
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
SMILESC[C@H]1CNCCN1S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H13N3O2S2/c1-8-7-12-4-5-13(8)17(14,15)10-3-2-9(6-11)16-10/h2-3,8,12H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyPJSIJGZPVBNWDW-QMMMGPOBSA-N
XLogP0.60
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile
CID 106272927
5-(1,4-diazepan-1-ylsulfonyl)thiophene-2-carbonitrile
CID 106265076
5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile
CID 106269142
(2R)-2-methyl-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 120717017
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106266846
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
2-fluoro-5-(2-methylpiperazin-1-yl)sulfonylbenzonitrile;hydrochloride
CID 119969888
3-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzonitrile;hydrochloride
CID 119969685
4-chloro-3-[(2S)-2-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 82755462
3-fluoro-4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 124691037
N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 124625985
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile?
The IUPAC name of 5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile (CID 106273020) is 5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile?
The canonical SMILES for 5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile is C[C@H]1CNCCN1S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile?
The InChIKey is PJSIJGZPVBNWDW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-8-7-12-4-5-13(8)17(14,15)10-3-2-9(6-11)16-10/h2-3,8,12H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of 5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile?
5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile has a molecular weight of 271.37 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 106273020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).