(2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile

C10H13N3S — CID 8893243

IUPAC(2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile
SMILESN#C[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C10H13N3S/c11-8-9(10-2-1-7-14-10)13-5-3-12-4-6-13/h1-2,7,9,12H,3-6H2/t9-/m0/s1
InChIKeyFCDRHDKGKBAGPP-VIFPVBQESA-N
MW207.30 g/mol
LogP1.22
Rot. Bonds2

About (2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile

(2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile (PubChem CID 8893243) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is (2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Name(2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile
PubChem CID8893243
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name(2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile
SMILESN#C[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C10H13N3S/c11-8-9(10-2-1-7-14-10)13-5-3-12-4-6-13/h1-2,7,9,12H,3-6H2/t9-/m0/s1
InChIKeyFCDRHDKGKBAGPP-VIFPVBQESA-N
XLogP1.22
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride
CID 45261293
piperazin-1-yl(thiophen-2-yl)methanamine
CID 116939719
2-(4-butanoylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile
CID 110349388
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]benzonitrile
CID 171287618
2-[4-(pyridine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349439
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
2-(4-bromo-5-methylthiophen-2-yl)-2-piperazin-1-ylacetonitrile
CID 102840088
1-[(S)-(3-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281047
2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349488
2-(1,4-diazepan-1-yl)-2-(5-nitrothiophen-2-yl)acetonitrile
CID 84757769
2-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349496

Frequently Asked Questions

What is the IUPAC name of (2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile?
The IUPAC name of (2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile (CID 8893243) is (2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile.
What is the SMILES notation for (2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile?
The canonical SMILES for (2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile is N#C[C@@H](c1cccs1)N1CCNCC1.
What is the InChIKey of (2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile?
The InChIKey is FCDRHDKGKBAGPP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13N3S/c11-8-9(10-2-1-7-14-10)13-5-3-12-4-6-13/h1-2,7,9,12H,3-6H2/t9-/m0/s1.
What are the key properties of (2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile?
(2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile has a molecular weight of 207.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 8893243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).