2-(phenylsulfanylmethyl)spiro[2.2]pentane

C12H14S — CID 10535698

IUPAC2-(phenylsulfanylmethyl)spiro[2.2]pentane
SMILESc1ccc(SCC2CC23CC3)cc1
InChIInChI=1S/C12H14S/c1-2-4-11(5-3-1)13-9-10-8-12(10)6-7-12/h1-5,10H,6-9H2
InChIKeyIEWORHUDCUQGHJ-UHFFFAOYSA-N
MW190.31 g/mol
LogP3.58
Rot. Bonds3

About 2-(phenylsulfanylmethyl)spiro[2.2]pentane

2-(phenylsulfanylmethyl)spiro[2.2]pentane (PubChem CID 10535698) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-(phenylsulfanylmethyl)spiro[2.2]pentane.

Molecular Properties

Compound Name2-(phenylsulfanylmethyl)spiro[2.2]pentane
PubChem CID10535698
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name2-(phenylsulfanylmethyl)spiro[2.2]pentane
SMILESc1ccc(SCC2CC23CC3)cc1
InChIInChI=1S/C12H14S/c1-2-4-11(5-3-1)13-9-10-8-12(10)6-7-12/h1-5,10H,6-9H2
InChIKeyIEWORHUDCUQGHJ-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylsulfanylmethyl)spiro[2.2]pentane?
The IUPAC name of 2-(phenylsulfanylmethyl)spiro[2.2]pentane (CID 10535698) is 2-(phenylsulfanylmethyl)spiro[2.2]pentane.
What is the SMILES notation for 2-(phenylsulfanylmethyl)spiro[2.2]pentane?
The canonical SMILES for 2-(phenylsulfanylmethyl)spiro[2.2]pentane is c1ccc(SCC2CC23CC3)cc1.
What is the InChIKey of 2-(phenylsulfanylmethyl)spiro[2.2]pentane?
The InChIKey is IEWORHUDCUQGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S/c1-2-4-11(5-3-1)13-9-10-8-12(10)6-7-12/h1-5,10H,6-9H2.
What are the key properties of 2-(phenylsulfanylmethyl)spiro[2.2]pentane?
2-(phenylsulfanylmethyl)spiro[2.2]pentane has a molecular weight of 190.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylsulfanylmethyl)spiro[2.2]pentane is sourced from PubChem (CID 10535698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).