4-amino-N-(3-methylsulfanylpropyl)benzamide

C11H16N2OS — CID 63981762

IUPAC4-amino-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2OS/c1-15-8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyXFJRECCRIGDBFG-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.75
Rot. Bonds5

About 4-amino-N-(3-methylsulfanylpropyl)benzamide

4-amino-N-(3-methylsulfanylpropyl)benzamide (PubChem CID 63981762) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-amino-N-(3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3-methylsulfanylpropyl)benzamide
PubChem CID63981762
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-amino-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2OS/c1-15-8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyXFJRECCRIGDBFG-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3-methylsulfanylpropyl)benzamide
CID 63959814
4-amino-N-[2-(2-methylsulfanylethylamino)-2-oxoethyl]benzamide
CID 60666348
4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
CID 113488238
4-iodo-N-(5-methylsulfanylpentyl)benzamide
CID 104920149
4-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980672
2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 63962518
5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980674
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 63981332
3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
CID 156799285

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methylsulfanylpropyl)benzamide?
The IUPAC name of 4-amino-N-(3-methylsulfanylpropyl)benzamide (CID 63981762) is 4-amino-N-(3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 4-amino-N-(3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 4-amino-N-(3-methylsulfanylpropyl)benzamide is CSCCCNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3-methylsulfanylpropyl)benzamide?
The InChIKey is XFJRECCRIGDBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-15-8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-(3-methylsulfanylpropyl)benzamide?
4-amino-N-(3-methylsulfanylpropyl)benzamide has a molecular weight of 224.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 63981762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).