N-(2-hydroxy-1-sulfanylethyl)acetamide

C4H9NO2S — CID 147296695

IUPACN-(2-hydroxy-1-sulfanylethyl)acetamide
SMILESCC(=O)NC(S)CO
InChIInChI=1S/C4H9NO2S/c1-3(7)5-4(8)2-6/h4,6,8H,2H2,1H3,(H,5,7)
InChIKeyCVGLDUNHJLXOCT-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.63
Rot. Bonds2

About N-(2-hydroxy-1-sulfanylethyl)acetamide

N-(2-hydroxy-1-sulfanylethyl)acetamide (PubChem CID 147296695) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is N-(2-hydroxy-1-sulfanylethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-sulfanylethyl)acetamide
PubChem CID147296695
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC NameN-(2-hydroxy-1-sulfanylethyl)acetamide
SMILESCC(=O)NC(S)CO
InChIInChI=1S/C4H9NO2S/c1-3(7)5-4(8)2-6/h4,6,8H,2H2,1H3,(H,5,7)
InChIKeyCVGLDUNHJLXOCT-UHFFFAOYSA-N
XLogP-0.63
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919
ethyl 2-acetamido-2-(methylamino)acetate
CID 14860687
N-(3-hydroxy-2-sulfanylpropyl)acetamide
CID 145429936
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879224
2-acetamido-3-sulfanylpropanoic acid;pentane-1,2,3,4,5-pentol
CID 74947454
ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide
CID 145429935
N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide
CID 87061144
(2-acetamido-3-hydroxy-1-oxoniopropyl)azanium
CID 163895024
N-[(2S)-1-hydroxypentan-2-yl]acetamide
CID 10464451
N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
CID 121358026
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-sulfanylethyl)acetamide?
The IUPAC name of N-(2-hydroxy-1-sulfanylethyl)acetamide (CID 147296695) is N-(2-hydroxy-1-sulfanylethyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-1-sulfanylethyl)acetamide?
The canonical SMILES for N-(2-hydroxy-1-sulfanylethyl)acetamide is CC(=O)NC(S)CO.
What is the InChIKey of N-(2-hydroxy-1-sulfanylethyl)acetamide?
The InChIKey is CVGLDUNHJLXOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-3(7)5-4(8)2-6/h4,6,8H,2H2,1H3,(H,5,7).
What are the key properties of N-(2-hydroxy-1-sulfanylethyl)acetamide?
N-(2-hydroxy-1-sulfanylethyl)acetamide has a molecular weight of 135.19 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-sulfanylethyl)acetamide is sourced from PubChem (CID 147296695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).