2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide

C10H13NO2S — CID 64665949

IUPAC2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
SMILESCC(O)c1cccc(SCC(N)=O)c1
InChIInChI=1S/C10H13NO2S/c1-7(12)8-3-2-4-9(5-8)14-6-10(11)13/h2-5,7,12H,6H2,1H3,(H2,11,13)
InChIKeyYWCFKGAOPBOVPO-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.32
Rot. Bonds4

About 2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide

2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide (PubChem CID 64665949) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
PubChem CID64665949
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
SMILESCC(O)c1cccc(SCC(N)=O)c1
InChIInChI=1S/C10H13NO2S/c1-7(12)8-3-2-4-9(5-8)14-6-10(11)13/h2-5,7,12H,6H2,1H3,(H2,11,13)
InChIKeyYWCFKGAOPBOVPO-UHFFFAOYSA-N
XLogP1.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 64665108
N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665943
1-[3-(2-methylidenebutylsulfanyl)phenyl]ethanol
CID 66038314
2-(3-aminophenyl)sulfanylacetamide
CID 19300065
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 64664246
3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane
CID 142545208
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
CID 64665740
(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323
2-(3-chlorophenyl)sulfanylacetamide
CID 62647381
N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64666802
1-[3-(2-phenylethylsulfanyl)phenyl]ethanol
CID 64665944

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide (CID 64665949) is 2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide is CC(O)c1cccc(SCC(N)=O)c1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
The InChIKey is YWCFKGAOPBOVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(12)8-3-2-4-9(5-8)14-6-10(11)13/h2-5,7,12H,6H2,1H3,(H2,11,13).
What are the key properties of 2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide has a molecular weight of 211.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 64665949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).