4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile

C14H13NOS2 — CID 97021415

IUPAC4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile
SMILESC[C@H](c1cccs1)[S@](=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H13NOS2/c1-11(14-3-2-8-17-14)18(16)10-13-6-4-12(9-15)5-7-13/h2-8,11H,10H2,1H3/t11-,18-/m1/s1
InChIKeyRYPBXVUDQUNFMI-ADLMAVQZSA-N
MW275.40 g/mol
LogP3.63
Rot. Bonds4

About 4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile

4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile (PubChem CID 97021415) has the molecular formula C14H13NOS2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile
PubChem CID97021415
Molecular FormulaC14H13NOS2
Molecular Weight275.40 g/mol
Exact Mass275.04
IUPAC Name4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile
SMILESC[C@H](c1cccs1)[S@](=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H13NOS2/c1-11(14-3-2-8-17-14)18(16)10-13-6-4-12(9-15)5-7-13/h2-8,11H,10H2,1H3/t11-,18-/m1/s1
InChIKeyRYPBXVUDQUNFMI-ADLMAVQZSA-N
XLogP3.63
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile?
The IUPAC name of 4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile (CID 97021415) is 4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile.
What is the SMILES notation for 4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile?
The canonical SMILES for 4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile is C[C@H](c1cccs1)[S@](=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile?
The InChIKey is RYPBXVUDQUNFMI-ADLMAVQZSA-N. The full InChI is InChI=1S/C14H13NOS2/c1-11(14-3-2-8-17-14)18(16)10-13-6-4-12(9-15)5-7-13/h2-8,11H,10H2,1H3/t11-,18-/m1/s1.
What are the key properties of 4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile?
4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile has a molecular weight of 275.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile is sourced from PubChem (CID 97021415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).