3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile

C10H17NS — CID 164656154

IUPAC3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CSC1CCCC1
InChIInChI=1S/C10H17NS/c1-10(2,7-11)8-12-9-5-3-4-6-9/h9H,3-6,8H2,1-2H3
InChIKeyPMWJIOMLOSYOIV-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.21
Rot. Bonds3

About 3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile

3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile (PubChem CID 164656154) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile
PubChem CID164656154
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CSC1CCCC1
InChIInChI=1S/C10H17NS/c1-10(2,7-11)8-12-9-5-3-4-6-9/h9H,3-6,8H2,1-2H3
InChIKeyPMWJIOMLOSYOIV-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63907237
2,2,2-trifluoroethylsulfanylcyclopentane
CID 130682708
5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 63115357
3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile
CID 104587106
ethylsulfanylcyclohexane;hydrate
CID 154657680
4-(cyclopentylmethylsulfanyl)-2,2-dimethylbutanenitrile
CID 65256662
[2-(bromomethyl)-2-ethylbutyl]sulfanylcyclopentane
CID 64999013
N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine
CID 63115390
ethylsulfanylcycloheptane
CID 67666697
2,2-dimethyl-3-(oxan-2-yl)propanenitrile
CID 122240166
3-cyclopentylsulfanyl-2-(ethylamino)-2-methylpropanamide
CID 63115926
propylsulfanylcyclopentane
CID 534899

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile?
The IUPAC name of 3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile (CID 164656154) is 3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile is CC(C)(C#N)CSC1CCCC1.
What is the InChIKey of 3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile?
The InChIKey is PMWJIOMLOSYOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-10(2,7-11)8-12-9-5-3-4-6-9/h9H,3-6,8H2,1-2H3.
What are the key properties of 3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile?
3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile has a molecular weight of 183.32 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-cyclopentylsulfanyl-2,2-dimethylpropanenitrile is sourced from PubChem (CID 164656154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).