1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile

C14H24N2OS — CID 79576589

IUPAC1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCSC1CCOCC1
InChIInChI=1S/C14H24N2OS/c1-16-14(11-15)7-2-3-12(14)6-10-18-13-4-8-17-9-5-13/h12-13,16H,2-10H2,1H3
InChIKeyJPBPIQAYTBUHJC-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.57
Rot. Bonds5

About 1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile

1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79576589) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile
PubChem CID79576589
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCSC1CCOCC1
InChIInChI=1S/C14H24N2OS/c1-16-14(11-15)7-2-3-12(14)6-10-18-13-4-8-17-9-5-13/h12-13,16H,2-10H2,1H3
InChIKeyJPBPIQAYTBUHJC-UHFFFAOYSA-N
XLogP2.57
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(oxan-4-ylsulfanyl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576846
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576244
2-[2-(3-hydroxy-2-methylpropyl)sulfanylethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79577410
2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 105416538
2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576565
2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79577396
1-(methylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile
CID 79565415
2-[2-(cyclohexylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578007
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79565582
N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 62991941
2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82959909
1-(methylamino)-2-[2-(oxetan-3-ylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79582619

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile (CID 79576589) is 1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCSC1CCOCC1.
What is the InChIKey of 1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is JPBPIQAYTBUHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-16-14(11-15)7-2-3-12(14)6-10-18-13-4-8-17-9-5-13/h12-13,16H,2-10H2,1H3.
What are the key properties of 1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile?
1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 268.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).