2-amino-3-methylsulfanylbenzamide

C8H10N2OS — CID 115547557

IUPAC2-amino-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(N)=O)c1N
InChIInChI=1S/C8H10N2OS/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
InChIKeyCYDNVCKCORRSCS-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.09
Rot. Bonds2

About 2-amino-3-methylsulfanylbenzamide

2-amino-3-methylsulfanylbenzamide (PubChem CID 115547557) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-amino-3-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-amino-3-methylsulfanylbenzamide
PubChem CID115547557
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-amino-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(N)=O)c1N
InChIInChI=1S/C8H10N2OS/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
InChIKeyCYDNVCKCORRSCS-UHFFFAOYSA-N
XLogP1.09
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.09
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

methyl 2-amino-3-methylsulfanylbenzoate
CID 75481794
2-amino-3-(4-methylphenyl)sulfanylbenzamide
CID 113333397
2-amino-3-benzylsulfanylbenzamide
CID 113333393
2-amino-3-(3-hydroxypropylsulfanyl)benzamide
CID 115547680
2-amino-3-methylsulfanylphenol
CID 23540046
methyl 3-(2-amino-3-carbamoylphenyl)sulfanylpropanoate
CID 115547531
2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide
CID 114234242
2,3-diaminobenzamide;hydrochloride
CID 118989521
2,3-diaminobenzamide;dihydrochloride
CID 53422807
2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
CID 115547709
2-amino-3-(cyclopentylmethylsulfanyl)benzamide
CID 115547631
2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
CID 54284404

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylsulfanylbenzamide?
The IUPAC name of 2-amino-3-methylsulfanylbenzamide (CID 115547557) is 2-amino-3-methylsulfanylbenzamide.
What is the SMILES notation for 2-amino-3-methylsulfanylbenzamide?
The canonical SMILES for 2-amino-3-methylsulfanylbenzamide is CSc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-methylsulfanylbenzamide?
The InChIKey is CYDNVCKCORRSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H2,10,11).
What are the key properties of 2-amino-3-methylsulfanylbenzamide?
2-amino-3-methylsulfanylbenzamide has a molecular weight of 182.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylsulfanylbenzamide is sourced from PubChem (CID 115547557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).