5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide

C15H22N2OS — CID 82012481

IUPAC5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide
SMILESC=CCSc1ccccc1NC(=O)CCC(C)CN
InChIInChI=1S/C15H22N2OS/c1-3-10-19-14-7-5-4-6-13(14)17-15(18)9-8-12(2)11-16/h3-7,12H,1,8-11,16H2,2H3,(H,17,18)
InChIKeyUHHCYTUHPCIWEQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.28
Rot. Bonds8

About 5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide

5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide (PubChem CID 82012481) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide
PubChem CID82012481
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide
SMILESC=CCSc1ccccc1NC(=O)CCC(C)CN
InChIInChI=1S/C15H22N2OS/c1-3-10-19-14-7-5-4-6-13(14)17-15(18)9-8-12(2)11-16/h3-7,12H,1,8-11,16H2,2H3,(H,17,18)
InChIKeyUHHCYTUHPCIWEQ-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
3-oxo-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 54867229
4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 80542781
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 113225560
(2S)-2-amino-3,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 61179400
N-(2-ethylsulfanylphenyl)but-3-enamide
CID 162691877
2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
CID 82016802
2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 62473395
2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 64683280
1-(aminomethyl)-N-(2-prop-2-enylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437461
(3R,5S)-3,5-dimethyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-1-carboxamide
CID 51945547

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide?
The IUPAC name of 5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide (CID 82012481) is 5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide is C=CCSc1ccccc1NC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide?
The InChIKey is UHHCYTUHPCIWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-10-19-14-7-5-4-6-13(14)17-15(18)9-8-12(2)11-16/h3-7,12H,1,8-11,16H2,2H3,(H,17,18).
What are the key properties of 5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide?
5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide has a molecular weight of 278.42 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide is sourced from PubChem (CID 82012481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).