5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide

C13H20N2OS — CID 104683445

IUPAC5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
SMILESCSc1ccc(NC(=O)C(C)CCCN)cc1
InChIInChI=1S/C13H20N2OS/c1-10(4-3-9-14)13(16)15-11-5-7-12(17-2)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyUDWFURHJRPEJMI-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.72
Rot. Bonds6

About 5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide

5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide (PubChem CID 104683445) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
PubChem CID104683445
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
SMILESCSc1ccc(NC(=O)C(C)CCCN)cc1
InChIInChI=1S/C13H20N2OS/c1-10(4-3-9-14)13(16)15-11-5-7-12(17-2)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyUDWFURHJRPEJMI-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide
CID 104684120
5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide
CID 104684256
(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273769
2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273773
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
4-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 80543411
5-amino-N-[4-(ethylsulfamoyl)phenyl]-2-methylpentanamide
CID 104684086
4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 119273782
5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide
CID 104683865
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylpentanamide
CID 113440983
5-amino-2-methyl-N-(3-phenylphenyl)pentanamide
CID 143299343

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide?
The IUPAC name of 5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide (CID 104683445) is 5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide is CSc1ccc(NC(=O)C(C)CCCN)cc1.
What is the InChIKey of 5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide?
The InChIKey is UDWFURHJRPEJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(4-3-9-14)13(16)15-11-5-7-12(17-2)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide?
5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide has a molecular weight of 252.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide is sourced from PubChem (CID 104683445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).