4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile

C14H20N2OS — CID 64710362

IUPAC4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile
SMILESCNC(C)(C#N)CC(C)Sc1ccc(OC)cc1
InChIInChI=1S/C14H20N2OS/c1-11(9-14(2,10-15)16-3)18-13-7-5-12(17-4)6-8-13/h5-8,11,16H,9H2,1-4H3
InChIKeyRVMYWBAJQKBZEZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.07
Rot. Bonds6

About 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile

4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile (PubChem CID 64710362) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile
PubChem CID64710362
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile
SMILESCNC(C)(C#N)CC(C)Sc1ccc(OC)cc1
InChIInChI=1S/C14H20N2OS/c1-11(9-14(2,10-15)16-3)18-13-7-5-12(17-4)6-8-13/h5-8,11,16H,9H2,1-4H3
InChIKeyRVMYWBAJQKBZEZ-UHFFFAOYSA-N
XLogP3.07
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile
CID 64709979
2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentanenitrile
CID 64711545
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanenitrile
CID 64712096
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64711066
2-methyl-2-(methylamino)-4-(2-nitrophenyl)sulfanylpentanenitrile
CID 64710342
2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727805
N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline
CID 55092272
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)pentanenitrile
CID 64709621
4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 107667823
2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727208
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile
CID 64709204
4-(4-methoxy-3-nitrophenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 103202171

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile (CID 64710362) is 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile is CNC(C)(C#N)CC(C)Sc1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile?
The InChIKey is RVMYWBAJQKBZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11(9-14(2,10-15)16-3)18-13-7-5-12(17-4)6-8-13/h5-8,11,16H,9H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile?
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile has a molecular weight of 264.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 64710362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).