1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile

C17H15NS — CID 15920974

IUPAC1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccccc2)CC1CSc1ccccc1
InChIInChI=1S/C17H15NS/c18-13-17(14-7-3-1-4-8-14)11-15(17)12-19-16-9-5-2-6-10-16/h1-10,15H,11-12H2
InChIKeyGSVUJOFTTDMROU-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.26
Rot. Bonds4

About 1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile

1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile (PubChem CID 15920974) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile
PubChem CID15920974
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccccc2)CC1CSc1ccccc1
InChIInChI=1S/C17H15NS/c18-13-17(14-7-3-1-4-8-14)11-15(17)12-19-16-9-5-2-6-10-16/h1-10,15H,11-12H2
InChIKeyGSVUJOFTTDMROU-UHFFFAOYSA-N
XLogP4.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile (CID 15920974) is 1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile is N#CC1(c2ccccc2)CC1CSc1ccccc1.
What is the InChIKey of 1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile?
The InChIKey is GSVUJOFTTDMROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c18-13-17(14-7-3-1-4-8-14)11-15(17)12-19-16-9-5-2-6-10-16/h1-10,15H,11-12H2.
What are the key properties of 1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile?
1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile has a molecular weight of 265.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(phenylsulfanylmethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 15920974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).