(2R)-2,5-dimethylthiolane-3-carbonitrile

C7H11NS — CID 89363350

IUPAC(2R)-2,5-dimethylthiolane-3-carbonitrile
SMILESCC1CC(C#N)[C@@H](C)S1
InChIInChI=1S/C7H11NS/c1-5-3-7(4-8)6(2)9-5/h5-7H,3H2,1-2H3/t5?,6-,7?/m1/s1
InChIKeyVFORHMWWKRXTEW-YURFNIAASA-N
MW141.24 g/mol
LogP2.04
Rot. Bonds

About (2R)-2,5-dimethylthiolane-3-carbonitrile

(2R)-2,5-dimethylthiolane-3-carbonitrile (PubChem CID 89363350) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is (2R)-2,5-dimethylthiolane-3-carbonitrile.

Molecular Properties

Compound Name(2R)-2,5-dimethylthiolane-3-carbonitrile
PubChem CID89363350
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name(2R)-2,5-dimethylthiolane-3-carbonitrile
SMILESCC1CC(C#N)[C@@H](C)S1
InChIInChI=1S/C7H11NS/c1-5-3-7(4-8)6(2)9-5/h5-7H,3H2,1-2H3/t5?,6-,7?/m1/s1
InChIKeyVFORHMWWKRXTEW-YURFNIAASA-N
XLogP2.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-dimethylthiolane-3-carbonitrile?
The IUPAC name of (2R)-2,5-dimethylthiolane-3-carbonitrile (CID 89363350) is (2R)-2,5-dimethylthiolane-3-carbonitrile.
What is the SMILES notation for (2R)-2,5-dimethylthiolane-3-carbonitrile?
The canonical SMILES for (2R)-2,5-dimethylthiolane-3-carbonitrile is CC1CC(C#N)[C@@H](C)S1.
What is the InChIKey of (2R)-2,5-dimethylthiolane-3-carbonitrile?
The InChIKey is VFORHMWWKRXTEW-YURFNIAASA-N. The full InChI is InChI=1S/C7H11NS/c1-5-3-7(4-8)6(2)9-5/h5-7H,3H2,1-2H3/t5?,6-,7?/m1/s1.
What are the key properties of (2R)-2,5-dimethylthiolane-3-carbonitrile?
(2R)-2,5-dimethylthiolane-3-carbonitrile has a molecular weight of 141.24 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-dimethylthiolane-3-carbonitrile is sourced from PubChem (CID 89363350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).