N-(2-hydroxyethylsulfanylmethyl)acetamide

C5H11NO2S — CID 55299455

IUPACN-(2-hydroxyethylsulfanylmethyl)acetamide
SMILESCC(=O)NCSCCO
InChIInChI=1S/C5H11NO2S/c1-5(8)6-4-9-3-2-7/h7H,2-4H2,1H3,(H,6,8)
InChIKeyLTSJMIIAJJEOCH-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.19
Rot. Bonds4

About N-(2-hydroxyethylsulfanylmethyl)acetamide

N-(2-hydroxyethylsulfanylmethyl)acetamide (PubChem CID 55299455) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is N-(2-hydroxyethylsulfanylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethylsulfanylmethyl)acetamide
PubChem CID55299455
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameN-(2-hydroxyethylsulfanylmethyl)acetamide
SMILESCC(=O)NCSCCO
InChIInChI=1S/C5H11NO2S/c1-5(8)6-4-9-3-2-7/h7H,2-4H2,1H3,(H,6,8)
InChIKeyLTSJMIIAJJEOCH-UHFFFAOYSA-N
XLogP-0.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-hydroxyethylsulfanylmethyl)acetamide?
The IUPAC name of N-(2-hydroxyethylsulfanylmethyl)acetamide (CID 55299455) is N-(2-hydroxyethylsulfanylmethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethylsulfanylmethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethylsulfanylmethyl)acetamide is CC(=O)NCSCCO.
What is the InChIKey of N-(2-hydroxyethylsulfanylmethyl)acetamide?
The InChIKey is LTSJMIIAJJEOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5(8)6-4-9-3-2-7/h7H,2-4H2,1H3,(H,6,8).
What are the key properties of N-(2-hydroxyethylsulfanylmethyl)acetamide?
N-(2-hydroxyethylsulfanylmethyl)acetamide has a molecular weight of 149.22 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethylsulfanylmethyl)acetamide is sourced from PubChem (CID 55299455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).