2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide

C11H15NO2S — CID 83518674

IUPAC2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1ccc(CO)cc1
InChIInChI=1S/C11H15NO2S/c1-12-11(14)8-15-7-10-4-2-9(6-13)3-5-10/h2-5,13H,6-8H2,1H3,(H,12,14)
InChIKeyRYZPNSBGHCDIMK-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.16
Rot. Bonds5

About 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide

2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide (PubChem CID 83518674) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
PubChem CID83518674
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1ccc(CO)cc1
InChIInChI=1S/C11H15NO2S/c1-12-11(14)8-15-7-10-4-2-9(6-13)3-5-10/h2-5,13H,6-8H2,1H3,(H,12,14)
InChIKeyRYZPNSBGHCDIMK-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 53279533
N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide
CID 75452413
2-[(4-carbamothioylphenyl)methylsulfanyl]-N-methylacetamide
CID 82178528
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 110006919
4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide
CID 110006835
[2-(methylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773184
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 110007036
2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide
CID 99831895
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 83518576
N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 110007033
3-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide
CID 110006839
N-methyl-2-[[3-(methylamino)-4-nitrophenyl]methylsulfanyl]acetamide
CID 114231924

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide?
The IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide (CID 83518674) is 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide is CNC(=O)CSCc1ccc(CO)cc1.
What is the InChIKey of 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide?
The InChIKey is RYZPNSBGHCDIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12-11(14)8-15-7-10-4-2-9(6-13)3-5-10/h2-5,13H,6-8H2,1H3,(H,12,14).
What are the key properties of 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide?
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide has a molecular weight of 225.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 83518674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).