3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide

C11H15NO3S — CID 104939035

IUPAC3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H15NO3S/c1-7(6-16-2)12-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,13-14H,6H2,1-2H3,(H,12,15)
InChIKeyGTDDJQYVONAUKY-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.58
Rot. Bonds4

About 3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide

3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 104939035) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID104939035
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H15NO3S/c1-7(6-16-2)12-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,13-14H,6H2,1-2H3,(H,12,15)
InChIKeyGTDDJQYVONAUKY-UHFFFAOYSA-N
XLogP1.58
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
CID 91649720
N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide
CID 107706110
3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 104939027
3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide
CID 103891766
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103873373
2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104929818
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
2-[(3,5-dihydroxybenzoyl)amino]-3-methylpentanoic acid
CID 107702327

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 104939035) is 3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide is CSCC(C)NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is GTDDJQYVONAUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7(6-16-2)12-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,13-14H,6H2,1-2H3,(H,12,15).
What are the key properties of 3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 241.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 104939035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).