2-propylsulfanylcyclopentane-1-carbonitrile

C9H15NS — CID 43293227

IUPAC2-propylsulfanylcyclopentane-1-carbonitrile
SMILESCCCSC1CCCC1C#N
InChIInChI=1S/C9H15NS/c1-2-6-11-9-5-3-4-8(9)7-10/h8-9H,2-6H2,1H3
InChIKeyITXCJQHSGNDNGZ-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.82
Rot. Bonds3

About 2-propylsulfanylcyclopentane-1-carbonitrile

2-propylsulfanylcyclopentane-1-carbonitrile (PubChem CID 43293227) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-propylsulfanylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-propylsulfanylcyclopentane-1-carbonitrile
PubChem CID43293227
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-propylsulfanylcyclopentane-1-carbonitrile
SMILESCCCSC1CCCC1C#N
InChIInChI=1S/C9H15NS/c1-2-6-11-9-5-3-4-8(9)7-10/h8-9H,2-6H2,1H3
InChIKeyITXCJQHSGNDNGZ-UHFFFAOYSA-N
XLogP2.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-pentylsulfanylcyclohexane-1-carbonitrile
CID 107749483
2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
CID 43293262
2-(cyclopentylmethylsulfanyl)cyclohexane-1-carbonitrile
CID 55220522
2-benzylsulfanylcyclohexane-1-carbonitrile
CID 43292997
cyclopentane-1,2-dicarbonitrile
CID 19807606
2-[(2-methylphenyl)methylsulfanyl]cycloheptane-1-carbonitrile
CID 62769994
2-(3-hydroxypropylsulfanyl)-4-methylcyclohexane-1-carbonitrile
CID 66113401
4-ethyl-2-(2-methoxyethylsulfanyl)cyclohexane-1-carbonitrile
CID 43446086
propylsulfanylcyclopentane
CID 534899
3-ethyl-2-methylcyclohexane-1-carbonitrile
CID 166684475
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
2-propylsulfinylcyclopentane-1-carbonitrile
CID 64690280

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanylcyclopentane-1-carbonitrile?
The IUPAC name of 2-propylsulfanylcyclopentane-1-carbonitrile (CID 43293227) is 2-propylsulfanylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-propylsulfanylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-propylsulfanylcyclopentane-1-carbonitrile is CCCSC1CCCC1C#N.
What is the InChIKey of 2-propylsulfanylcyclopentane-1-carbonitrile?
The InChIKey is ITXCJQHSGNDNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-2-6-11-9-5-3-4-8(9)7-10/h8-9H,2-6H2,1H3.
What are the key properties of 2-propylsulfanylcyclopentane-1-carbonitrile?
2-propylsulfanylcyclopentane-1-carbonitrile has a molecular weight of 169.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanylcyclopentane-1-carbonitrile is sourced from PubChem (CID 43293227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).