3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide

C11H15NO2S — CID 115659478

IUPAC3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide
SMILESCC(CO)SCc1cccc(C(N)=O)c1
InChIInChI=1S/C11H15NO2S/c1-8(6-13)15-7-9-3-2-4-10(5-9)11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
InChIKeyPTZSFOYRFSLGKF-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.40
Rot. Bonds5

About 3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide

3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide (PubChem CID 115659478) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound Name3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide
PubChem CID115659478
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide
SMILESCC(CO)SCc1cccc(C(N)=O)c1
InChIInChI=1S/C11H15NO2S/c1-8(6-13)15-7-9-3-2-4-10(5-9)11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
InChIKeyPTZSFOYRFSLGKF-UHFFFAOYSA-N
XLogP1.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(4-methoxyphenyl)sulfanylmethyl]benzamide
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3-[(3-aminophenyl)sulfanylmethyl]benzamide
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3-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
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3-[(dimethylamino)methyl]benzamide;hydrochloride
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2-[(3-carbamothioylphenyl)methylsulfanyl]butanoic acid
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3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 66089913
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide?
The IUPAC name of 3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide (CID 115659478) is 3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for 3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for 3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide is CC(CO)SCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide?
The InChIKey is PTZSFOYRFSLGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(6-13)15-7-9-3-2-4-10(5-9)11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14).
What are the key properties of 3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide?
3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide has a molecular weight of 225.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 115659478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).