2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide

C10H13NO3S — CID 103890422

IUPAC2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C10H13NO3S/c1-15-6-5-11-10(14)9-7(12)3-2-4-8(9)13/h2-4,12-13H,5-6H2,1H3,(H,11,14)
InChIKeyDDVNAWJRGXNTJG-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.19
Rot. Bonds4

About 2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide

2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide (PubChem CID 103890422) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide
PubChem CID103890422
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C10H13NO3S/c1-15-6-5-11-10(14)9-7(12)3-2-4-8(9)13/h2-4,12-13H,5-6H2,1H3,(H,11,14)
InChIKeyDDVNAWJRGXNTJG-UHFFFAOYSA-N
XLogP1.19
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylsulfanylpropyl)-2,6-dihydroxybenzamide
CID 114248142
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
2,6-dihydroxy-N-(3-hydroxybutyl)benzamide
CID 103890654
2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107690240
2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103890327
2,6-dihydroxy-N-(2-oxopropyl)benzamide
CID 107688759
2,6-dihydroxy-N-(2-sulfamoylethyl)benzamide
CID 103890316
N-(2-methylsulfanylethyl)-3-phenylbenzamide
CID 67213717
2-bromo-N-(2-methylsulfanylethyl)benzamide
CID 51889373
2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide
CID 58451849
2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 63980673

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide (CID 103890422) is 2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide is CSCCNC(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is DDVNAWJRGXNTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-15-6-5-11-10(14)9-7(12)3-2-4-8(9)13/h2-4,12-13H,5-6H2,1H3,(H,11,14).
What are the key properties of 2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide?
2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 227.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 103890422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).