1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile

C17H18N2S — CID 79650544

IUPAC1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(Sc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H18N2S/c1-19-17(12-18)9-8-16(11-17)20-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16,19H,8-9,11H2,1H3
InChIKeyNGQZFTLEXUJURA-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.97
Rot. Bonds3

About 1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile

1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile (PubChem CID 79650544) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile
PubChem CID79650544
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(Sc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H18N2S/c1-19-17(12-18)9-8-16(11-17)20-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16,19H,8-9,11H2,1H3
InChIKeyNGQZFTLEXUJURA-UHFFFAOYSA-N
XLogP3.97
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile
CID 79649824
3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile
CID 79649672
3-(3-bromophenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile
CID 79649989
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 79635948
1-(propan-2-ylamino)-3-(4-propan-2-ylphenyl)sulfanylcyclopentane-1-carbonitrile
CID 79644862
3-(1,3-benzothiazol-2-ylsulfanyl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79635939
1-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carbonitrile
CID 79636794
1-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile
CID 79650620
3-(4-methoxyphenyl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
CID 79628124
4-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 62807959
1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
CID 79649504
1-(methylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 79636479

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile (CID 79650544) is 1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile is CNC1(C#N)CCC(Sc2ccc3ccccc3c2)C1.
What is the InChIKey of 1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile?
The InChIKey is NGQZFTLEXUJURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-19-17(12-18)9-8-16(11-17)20-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16,19H,8-9,11H2,1H3.
What are the key properties of 1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile?
1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile has a molecular weight of 282.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile is sourced from PubChem (CID 79650544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).