2-amino-3-(3-hydroxypropylsulfanyl)benzamide

C10H14N2O2S — CID 115547680

IUPAC2-amino-3-(3-hydroxypropylsulfanyl)benzamide
SMILESNC(=O)c1cccc(SCCCO)c1N
InChIInChI=1S/C10H14N2O2S/c11-9-7(10(12)14)3-1-4-8(9)15-6-2-5-13/h1,3-4,13H,2,5-6,11H2,(H2,12,14)
InChIKeyWIVGEBWSWCFRNZ-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.84
Rot. Bonds5

About 2-amino-3-(3-hydroxypropylsulfanyl)benzamide

2-amino-3-(3-hydroxypropylsulfanyl)benzamide (PubChem CID 115547680) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-amino-3-(3-hydroxypropylsulfanyl)benzamide.

Molecular Properties

Compound Name2-amino-3-(3-hydroxypropylsulfanyl)benzamide
PubChem CID115547680
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-amino-3-(3-hydroxypropylsulfanyl)benzamide
SMILESNC(=O)c1cccc(SCCCO)c1N
InChIInChI=1S/C10H14N2O2S/c11-9-7(10(12)14)3-1-4-8(9)15-6-2-5-13/h1,3-4,13H,2,5-6,11H2,(H2,12,14)
InChIKeyWIVGEBWSWCFRNZ-UHFFFAOYSA-N
XLogP0.84
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

methyl 3-(2-amino-3-carbamoylphenyl)sulfanylpropanoate
CID 115547531
2-amino-3-benzylsulfanylbenzamide
CID 113333393
2-amino-3-methylsulfanylbenzamide
CID 115547557
2-amino-3-(cyclopentylmethylsulfanyl)benzamide
CID 115547631
2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide
CID 114234242
N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide
CID 77112944
3-hexylsulfanylbenzene-1,2-dicarboxamide
CID 70597719
2-amino-3-(4-methylphenyl)sulfanylbenzamide
CID 113333397
3-amino-4-(3-hydroxypropylsulfanyl)benzoic acid
CID 66126171
2-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 66112944
2,3-diaminobenzamide;hydrochloride
CID 118989521
2,3-diaminobenzamide;dihydrochloride
CID 53422807

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-hydroxypropylsulfanyl)benzamide?
The IUPAC name of 2-amino-3-(3-hydroxypropylsulfanyl)benzamide (CID 115547680) is 2-amino-3-(3-hydroxypropylsulfanyl)benzamide.
What is the SMILES notation for 2-amino-3-(3-hydroxypropylsulfanyl)benzamide?
The canonical SMILES for 2-amino-3-(3-hydroxypropylsulfanyl)benzamide is NC(=O)c1cccc(SCCCO)c1N.
What is the InChIKey of 2-amino-3-(3-hydroxypropylsulfanyl)benzamide?
The InChIKey is WIVGEBWSWCFRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-9-7(10(12)14)3-1-4-8(9)15-6-2-5-13/h1,3-4,13H,2,5-6,11H2,(H2,12,14).
What are the key properties of 2-amino-3-(3-hydroxypropylsulfanyl)benzamide?
2-amino-3-(3-hydroxypropylsulfanyl)benzamide has a molecular weight of 226.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-hydroxypropylsulfanyl)benzamide is sourced from PubChem (CID 115547680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).