5-amino-2-(2-methylpropylsulfanyl)benzamide

C11H16N2OS — CID 61306670

IUPAC5-amino-2-(2-methylpropylsulfanyl)benzamide
SMILESCC(C)CSc1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H16N2OS/c1-7(2)6-15-10-4-3-8(12)5-9(10)11(13)14/h3-5,7H,6,12H2,1-2H3,(H2,13,14)
InChIKeyQONYHENYMZIXKU-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.12
Rot. Bonds4

About 5-amino-2-(2-methylpropylsulfanyl)benzamide

5-amino-2-(2-methylpropylsulfanyl)benzamide (PubChem CID 61306670) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-amino-2-(2-methylpropylsulfanyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(2-methylpropylsulfanyl)benzamide
PubChem CID61306670
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name5-amino-2-(2-methylpropylsulfanyl)benzamide
SMILESCC(C)CSc1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H16N2OS/c1-7(2)6-15-10-4-3-8(12)5-9(10)11(13)14/h3-5,7H,6,12H2,1-2H3,(H2,13,14)
InChIKeyQONYHENYMZIXKU-UHFFFAOYSA-N
XLogP2.12
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-methylpropylsulfanyl)benzoic acid
CID 60987987
5-amino-2-(2-methoxyethylsulfanyl)benzamide
CID 61306151
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide
CID 79829901
5-amino-2-(pentan-2-ylamino)benzamide
CID 61311530
5-amino-2-[methyl(3-methylbutyl)amino]benzamide
CID 61429127
5-amino-2-(pentan-3-ylamino)benzamide
CID 61311719
4-amino-2-(2-hydroxypropoxy)benzamide
CID 106955593
2-(2-methylpropylsulfanyl)benzoic acid
CID 4051770
5-amino-2-(2-chlorophenyl)sulfanylbenzamide
CID 61314066
5-amino-2-(oxetan-3-ylsulfanyl)benzamide
CID 79327199

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylpropylsulfanyl)benzamide?
The IUPAC name of 5-amino-2-(2-methylpropylsulfanyl)benzamide (CID 61306670) is 5-amino-2-(2-methylpropylsulfanyl)benzamide.
What is the SMILES notation for 5-amino-2-(2-methylpropylsulfanyl)benzamide?
The canonical SMILES for 5-amino-2-(2-methylpropylsulfanyl)benzamide is CC(C)CSc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(2-methylpropylsulfanyl)benzamide?
The InChIKey is QONYHENYMZIXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7(2)6-15-10-4-3-8(12)5-9(10)11(13)14/h3-5,7H,6,12H2,1-2H3,(H2,13,14).
What are the key properties of 5-amino-2-(2-methylpropylsulfanyl)benzamide?
5-amino-2-(2-methylpropylsulfanyl)benzamide has a molecular weight of 224.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylpropylsulfanyl)benzamide is sourced from PubChem (CID 61306670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).