1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide

C14H24N2OS — CID 103709316

IUPAC1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide
SMILESCCC(CC)(CNC(=O)C1(C#N)CCCC1)SC
InChIInChI=1S/C14H24N2OS/c1-4-14(5-2,18-3)11-16-12(17)13(10-15)8-6-7-9-13/h4-9,11H2,1-3H3,(H,16,17)
InChIKeyKIKCASUEHRCVJO-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.11
Rot. Bonds6

About 1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide

1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide (PubChem CID 103709316) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide
PubChem CID103709316
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide
SMILESCCC(CC)(CNC(=O)C1(C#N)CCCC1)SC
InChIInChI=1S/C14H24N2OS/c1-4-14(5-2,18-3)11-16-12(17)13(10-15)8-6-7-9-13/h4-9,11H2,1-3H3,(H,16,17)
InChIKeyKIKCASUEHRCVJO-UHFFFAOYSA-N
XLogP3.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(3-ethylpentan-3-yl)cyclopentane-1-carboxamide
CID 65043819
1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride
CID 119809809
1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 107299347
1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide
CID 111463620
1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide
CID 65043719
1-cyano-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 61461120
1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate
CID 97307698
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
CID 61459075
1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
CID 111428584
1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 61461650

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide (CID 103709316) is 1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide is CCC(CC)(CNC(=O)C1(C#N)CCCC1)SC.
What is the InChIKey of 1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide?
The InChIKey is KIKCASUEHRCVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-14(5-2,18-3)11-16-12(17)13(10-15)8-6-7-9-13/h4-9,11H2,1-3H3,(H,16,17).
What are the key properties of 1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide?
1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide has a molecular weight of 268.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 103709316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).