2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

C16H30N2S — CID 107755012

IUPAC2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCSC(C)C(C)C
InChIInChI=1S/C16H30N2S/c1-5-10-18-16(12-17)9-6-7-15(16)8-11-19-14(4)13(2)3/h13-15,18H,5-11H2,1-4H3
InChIKeyQPEVGEXEKLNLGO-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.22
Rot. Bonds8

About 2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 107755012) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID107755012
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCSC(C)C(C)C
InChIInChI=1S/C16H30N2S/c1-5-10-18-16(12-17)9-6-7-15(16)8-11-19-14(4)13(2)3/h13-15,18H,5-11H2,1-4H3
InChIKeyQPEVGEXEKLNLGO-UHFFFAOYSA-N
XLogP4.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile
CID 79577245
2-[2-(3-hydroxy-2-methylpropyl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577878
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79576737
2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578001
2-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578195
1-(propylamino)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile
CID 79576829
2-[2-(3-bromophenyl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577847
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79564790
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576809
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577326
2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578008
2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79572695

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (CID 107755012) is 2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCCC1CCSC(C)C(C)C.
What is the InChIKey of 2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is QPEVGEXEKLNLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-5-10-18-16(12-17)9-6-7-15(16)8-11-19-14(4)13(2)3/h13-15,18H,5-11H2,1-4H3.
What are the key properties of 2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 282.50 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 107755012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).