3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile

C14H18N2OS — CID 79649672

IUPAC3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(Sc2ccc(OC)cc2)C1
InChIInChI=1S/C14H18N2OS/c1-16-14(10-15)8-7-13(9-14)18-12-5-3-11(17-2)4-6-12/h3-6,13,16H,7-9H2,1-2H3
InChIKeyQPGVGDBCZMZODD-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.82
Rot. Bonds4

About 3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile

3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79649672) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79649672
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(Sc2ccc(OC)cc2)C1
InChIInChI=1S/C14H18N2OS/c1-16-14(10-15)8-7-13(9-14)18-12-5-3-11(17-2)4-6-12/h3-6,13,16H,7-9H2,1-2H3
InChIKeyQPGVGDBCZMZODD-UHFFFAOYSA-N
XLogP2.82
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-3-naphthalen-2-ylsulfanylcyclopentane-1-carbonitrile
CID 79650544
3-(3,4-dimethylphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile
CID 79649824
3-(4-methoxyphenyl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
CID 79628124
3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79654085
1-(propan-2-ylamino)-3-(4-propan-2-ylphenyl)sulfanylcyclopentane-1-carbonitrile
CID 79644862
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 79635948
1-cyclohexylsulfanyl-4-methoxybenzene
CID 13011159
1-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile
CID 79650620
[3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79646579
1-(methylamino)-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 79650632
3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile
CID 79650115
3-(1,3-benzothiazol-2-ylsulfanyl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79635939

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile (CID 79649672) is 3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCC(Sc2ccc(OC)cc2)C1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is QPGVGDBCZMZODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16-14(10-15)8-7-13(9-14)18-12-5-3-11(17-2)4-6-12/h3-6,13,16H,7-9H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile?
3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 262.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79649672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).