2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile

C10H17NS — CID 43293262

IUPAC2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
SMILESCC(C)CSC1CCCC1C#N
InChIInChI=1S/C10H17NS/c1-8(2)7-12-10-5-3-4-9(10)6-11/h8-10H,3-5,7H2,1-2H3
InChIKeyJLXAIKNFIZCYJN-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.07
Rot. Bonds3

About 2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile

2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile (PubChem CID 43293262) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
PubChem CID43293262
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
SMILESCC(C)CSC1CCCC1C#N
InChIInChI=1S/C10H17NS/c1-8(2)7-12-10-5-3-4-9(10)6-11/h8-10H,3-5,7H2,1-2H3
InChIKeyJLXAIKNFIZCYJN-UHFFFAOYSA-N
XLogP3.07
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylsulfanylcyclopentane-1-carbonitrile
CID 43293227
2-(cyclopentylmethylsulfanyl)cyclohexane-1-carbonitrile
CID 55220522
2-pentylsulfanylcyclohexane-1-carbonitrile
CID 107749483
2-benzylsulfanylcyclohexane-1-carbonitrile
CID 43292997
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
cyclopentane-1,2-dicarbonitrile
CID 19807606
2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile
CID 68839598
[2-(2-methylpropylsulfanyl)cycloheptyl]methanamine
CID 43529827
2-[(2-methylphenyl)methylsulfanyl]cycloheptane-1-carbonitrile
CID 62769994
N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine
CID 64611731
2-(2-methylpropylsulfinyl)cyclopentane-1-carbonitrile
CID 64691339
trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580454

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile (CID 43293262) is 2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile is CC(C)CSC1CCCC1C#N.
What is the InChIKey of 2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile?
The InChIKey is JLXAIKNFIZCYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-8(2)7-12-10-5-3-4-9(10)6-11/h8-10H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile?
2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile has a molecular weight of 183.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 43293262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).