N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide

C15H21N3OS — CID 115985825

IUPACN-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
SMILESCSCC(C)N(C)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H21N3OS/c1-11(10-20-4)18(3)12(2)15(19)17-14-7-5-6-13(8-14)9-16/h5-8,11-12H,10H2,1-4H3,(H,17,19)
InChIKeyOUNYOMRHLZCTJX-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.57
Rot. Bonds6

About N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide

N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide (PubChem CID 115985825) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
PubChem CID115985825
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
SMILESCSCC(C)N(C)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H21N3OS/c1-11(10-20-4)18(3)12(2)15(19)17-14-7-5-6-13(8-14)9-16/h5-8,11-12H,10H2,1-4H3,(H,17,19)
InChIKeyOUNYOMRHLZCTJX-UHFFFAOYSA-N
XLogP2.57
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 8767213

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide (CID 115985825) is N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide is CSCC(C)N(C)C(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide?
The InChIKey is OUNYOMRHLZCTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11(10-20-4)18(3)12(2)15(19)17-14-7-5-6-13(8-14)9-16/h5-8,11-12H,10H2,1-4H3,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide?
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide has a molecular weight of 291.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide is sourced from PubChem (CID 115985825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).