N-[hydroxy(methylsulfanyl)methyl]acetamide

C4H9NO2S — CID 163482156

IUPACN-[hydroxy(methylsulfanyl)methyl]acetamide
SMILESCSC(O)NC(C)=O
InChIInChI=1S/C4H9NO2S/c1-3(6)5-4(7)8-2/h4,7H,1-2H3,(H,5,6)
InChIKeyCFMGLDBTDOXAMN-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.24
Rot. Bonds2

About N-[hydroxy(methylsulfanyl)methyl]acetamide

N-[hydroxy(methylsulfanyl)methyl]acetamide (PubChem CID 163482156) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is N-[hydroxy(methylsulfanyl)methyl]acetamide.

Molecular Properties

Compound NameN-[hydroxy(methylsulfanyl)methyl]acetamide
PubChem CID163482156
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC NameN-[hydroxy(methylsulfanyl)methyl]acetamide
SMILESCSC(O)NC(C)=O
InChIInChI=1S/C4H9NO2S/c1-3(6)5-4(7)8-2/h4,7H,1-2H3,(H,5,6)
InChIKeyCFMGLDBTDOXAMN-UHFFFAOYSA-N
XLogP-0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[hydroxy(methylsulfanyl)methyl]acetamide?
The IUPAC name of N-[hydroxy(methylsulfanyl)methyl]acetamide (CID 163482156) is N-[hydroxy(methylsulfanyl)methyl]acetamide.
What is the SMILES notation for N-[hydroxy(methylsulfanyl)methyl]acetamide?
The canonical SMILES for N-[hydroxy(methylsulfanyl)methyl]acetamide is CSC(O)NC(C)=O.
What is the InChIKey of N-[hydroxy(methylsulfanyl)methyl]acetamide?
The InChIKey is CFMGLDBTDOXAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-3(6)5-4(7)8-2/h4,7H,1-2H3,(H,5,6).
What are the key properties of N-[hydroxy(methylsulfanyl)methyl]acetamide?
N-[hydroxy(methylsulfanyl)methyl]acetamide has a molecular weight of 135.19 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(methylsulfanyl)methyl]acetamide is sourced from PubChem (CID 163482156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).