1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile

C11H20N2S — CID 79649504

IUPAC1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(SCC(C)C)C1
InChIInChI=1S/C11H20N2S/c1-9(2)7-14-10-4-5-11(6-10,8-12)13-3/h9-10,13H,4-7H2,1-3H3
InChIKeyROBGIFNRAYXYJW-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.41
Rot. Bonds4

About 1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile

1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile (PubChem CID 79649504) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
PubChem CID79649504
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(SCC(C)C)C1
InChIInChI=1S/C11H20N2S/c1-9(2)7-14-10-4-5-11(6-10,8-12)13-3/h9-10,13H,4-7H2,1-3H3
InChIKeyROBGIFNRAYXYJW-UHFFFAOYSA-N
XLogP2.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile
CID 79649995
3-(2,3-dihydroxypropylsulfanyl)-1-(methylamino)cyclopentane-1-carbonitrile
CID 79671042
1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
CID 79636467
1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
CID 79636546
3-(3-methylbutylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 107755118
1-(ethylamino)-3-(3-hydroxy-2-methylpropyl)sulfanylcyclopentane-1-carbonitrile
CID 79649917
3-(3-hydroxypropylsulfanyl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79636335
3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636028
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639666
1-(propan-2-ylamino)-3-propylsulfanylcyclohexane-1-carbonitrile
CID 79637084
3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79640026
1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625349

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile (CID 79649504) is 1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile is CNC1(C#N)CCC(SCC(C)C)C1.
What is the InChIKey of 1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile?
The InChIKey is ROBGIFNRAYXYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9(2)7-14-10-4-5-11(6-10,8-12)13-3/h9-10,13H,4-7H2,1-3H3.
What are the key properties of 1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile?
1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile has a molecular weight of 212.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79649504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).