1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile

C12H19NS — CID 65141633

IUPAC1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile
SMILESCC1(C)CC(C#N)(SC2CCCC2)C1
InChIInChI=1S/C12H19NS/c1-11(2)7-12(8-11,9-13)14-10-5-3-4-6-10/h10H,3-8H2,1-2H3
InChIKeyLINYVEWYIZEFTK-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.74
Rot. Bonds2

About 1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile

1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile (PubChem CID 65141633) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile
PubChem CID65141633
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile
SMILESCC1(C)CC(C#N)(SC2CCCC2)C1
InChIInChI=1S/C12H19NS/c1-11(2)7-12(8-11,9-13)14-10-5-3-4-6-10/h10H,3-8H2,1-2H3
InChIKeyLINYVEWYIZEFTK-UHFFFAOYSA-N
XLogP3.74
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile?
The IUPAC name of 1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile (CID 65141633) is 1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile is CC1(C)CC(C#N)(SC2CCCC2)C1.
What is the InChIKey of 1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile?
The InChIKey is LINYVEWYIZEFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-11(2)7-12(8-11,9-13)14-10-5-3-4-6-10/h10H,3-8H2,1-2H3.
What are the key properties of 1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile?
1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile has a molecular weight of 209.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-3,3-dimethylcyclobutane-1-carbonitrile is sourced from PubChem (CID 65141633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).