2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile

C9H10N2S — CID 130710414

IUPAC2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile
SMILESN#Cc1ccsc1[C@@H]1CCCN1
InChIInChI=1S/C9H10N2S/c10-6-7-3-5-12-9(7)8-2-1-4-11-8/h3,5,8,11H,1-2,4H2/t8-/m0/s1
InChIKeyVJVUNNUROMIEJJ-QMMMGPOBSA-N
MW178.26 g/mol
LogP2.04
Rot. Bonds1

About 2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile

2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile (PubChem CID 130710414) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile
PubChem CID130710414
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile
SMILESN#Cc1ccsc1[C@@H]1CCCN1
InChIInChI=1S/C9H10N2S/c10-6-7-3-5-12-9(7)8-2-1-4-11-8/h3,5,8,11H,1-2,4H2/t8-/m0/s1
InChIKeyVJVUNNUROMIEJJ-QMMMGPOBSA-N
XLogP2.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile (CID 130710414) is 2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile is N#Cc1ccsc1[C@@H]1CCCN1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile?
The InChIKey is VJVUNNUROMIEJJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10N2S/c10-6-7-3-5-12-9(7)8-2-1-4-11-8/h3,5,8,11H,1-2,4H2/t8-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile?
2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile has a molecular weight of 178.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile is sourced from PubChem (CID 130710414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).