N-hydroxy-2-sulfanylpropanamide

C3H7NO2S — CID 20542834

IUPACN-hydroxy-2-sulfanylpropanamide
SMILESCC(S)C(=O)NO
InChIInChI=1S/C3H7NO2S/c1-2(7)3(5)4-6/h2,6-7H,1H3,(H,4,5)
InChIKeyJMVFBQQIGJFPMW-UHFFFAOYSA-N
MW121.16 g/mol
LogP-0.19
Rot. Bonds1

About N-hydroxy-2-sulfanylpropanamide

N-hydroxy-2-sulfanylpropanamide (PubChem CID 20542834) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is N-hydroxy-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-sulfanylpropanamide
PubChem CID20542834
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC NameN-hydroxy-2-sulfanylpropanamide
SMILESCC(S)C(=O)NO
InChIInChI=1S/C3H7NO2S/c1-2(7)3(5)4-6/h2,6-7H,1H3,(H,4,5)
InChIKeyJMVFBQQIGJFPMW-UHFFFAOYSA-N
XLogP-0.19
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[1-(hydroxyamino)-1-oxopropan-2-yl]azanium
CID 78443389
(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid
CID 11063423
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide
CID 142108991
2-methyl-2-(2-sulfanylpropanoylamino)propanoic acid
CID 89140497
N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide
CID 107031126
N-diaminophosphinothioyl-2-sulfanylpropanamide
CID 88694732
sodium 2-[[(2R)-2-sulfanylpropanoyl]amino]acetate
CID 76968776
(2R)-2-sulfanylpropanoate
CID 7057984
N-(2-methoxypropyl)-2-sulfanylpropanamide
CID 107036659
N-(6-methylheptan-2-yl)-2-sulfanylpropanamide
CID 107025134

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-sulfanylpropanamide?
The IUPAC name of N-hydroxy-2-sulfanylpropanamide (CID 20542834) is N-hydroxy-2-sulfanylpropanamide.
What is the SMILES notation for N-hydroxy-2-sulfanylpropanamide?
The canonical SMILES for N-hydroxy-2-sulfanylpropanamide is CC(S)C(=O)NO.
What is the InChIKey of N-hydroxy-2-sulfanylpropanamide?
The InChIKey is JMVFBQQIGJFPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-2(7)3(5)4-6/h2,6-7H,1H3,(H,4,5).
What are the key properties of N-hydroxy-2-sulfanylpropanamide?
N-hydroxy-2-sulfanylpropanamide has a molecular weight of 121.16 g/mol, XLogP of -0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-sulfanylpropanamide is sourced from PubChem (CID 20542834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).