(2R)-thiolane-2-carbonitrile

C5H7NS — CID 86312844

IUPAC(2R)-thiolane-2-carbonitrile
SMILESN#C[C@H]1CCCS1
InChIInChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h5H,1-3H2/t5-/m1/s1
InChIKeyWCHCAJNRBFUGJM-RXMQYKEDSA-N
MW113.18 g/mol
LogP1.41
Rot. Bonds

About (2R)-thiolane-2-carbonitrile

(2R)-thiolane-2-carbonitrile (PubChem CID 86312844) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is (2R)-thiolane-2-carbonitrile.

Molecular Properties

Compound Name(2R)-thiolane-2-carbonitrile
PubChem CID86312844
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name(2R)-thiolane-2-carbonitrile
SMILESN#C[C@H]1CCCS1
InChIInChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h5H,1-3H2/t5-/m1/s1
InChIKeyWCHCAJNRBFUGJM-RXMQYKEDSA-N
XLogP1.41
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-thiolane-2-carbonitrile?
The IUPAC name of (2R)-thiolane-2-carbonitrile (CID 86312844) is (2R)-thiolane-2-carbonitrile.
What is the SMILES notation for (2R)-thiolane-2-carbonitrile?
The canonical SMILES for (2R)-thiolane-2-carbonitrile is N#C[C@H]1CCCS1.
What is the InChIKey of (2R)-thiolane-2-carbonitrile?
The InChIKey is WCHCAJNRBFUGJM-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h5H,1-3H2/t5-/m1/s1.
What are the key properties of (2R)-thiolane-2-carbonitrile?
(2R)-thiolane-2-carbonitrile has a molecular weight of 113.18 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-thiolane-2-carbonitrile is sourced from PubChem (CID 86312844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).