3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile

C11H17NS — CID 139502327

IUPAC3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile
SMILESN#CC1CCC(SCC2CCC2)C1
InChIInChI=1S/C11H17NS/c12-7-10-4-5-11(6-10)13-8-9-2-1-3-9/h9-11H,1-6,8H2
InChIKeyZIQUQBJMSARPOD-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.21
Rot. Bonds3

About 3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile

3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile (PubChem CID 139502327) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile
PubChem CID139502327
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile
SMILESN#CC1CCC(SCC2CCC2)C1
InChIInChI=1S/C11H17NS/c12-7-10-4-5-11(6-10)13-8-9-2-1-3-9/h9-11H,1-6,8H2
InChIKeyZIQUQBJMSARPOD-UHFFFAOYSA-N
XLogP3.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile (CID 139502327) is 3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile is N#CC1CCC(SCC2CCC2)C1.
What is the InChIKey of 3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile?
The InChIKey is ZIQUQBJMSARPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c12-7-10-4-5-11(6-10)13-8-9-2-1-3-9/h9-11H,1-6,8H2.
What are the key properties of 3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile?
3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile has a molecular weight of 195.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 139502327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).