3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide

C5H10N2O3S — CID 22287106

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide
SMILESNC(=O)CSCCC(=O)NO
InChIInChI=1S/C5H10N2O3S/c6-4(8)3-11-2-1-5(9)7-10/h10H,1-3H2,(H2,6,8)(H,7,9)
InChIKeyHWWCOCCRJURMBN-UHFFFAOYSA-N
MW178.21 g/mol
LogP-0.90
Rot. Bonds5

About 3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide (PubChem CID 22287106) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide
PubChem CID22287106
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide
SMILESNC(=O)CSCCC(=O)NO
InChIInChI=1S/C5H10N2O3S/c6-4(8)3-11-2-1-5(9)7-10/h10H,1-3H2,(H2,6,8)(H,7,9)
InChIKeyHWWCOCCRJURMBN-UHFFFAOYSA-N
XLogP-0.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]propanoic acid
CID 43354849
3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418562
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-chloroprop-2-enyl)propanamide
CID 115636966
3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782450
N'-hydroxybutanediamide;hydrofluoride
CID 174508828
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]butanoic acid
CID 43360932
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide
CID 115612989
2-[3-(carbamoylamino)-3-oxopropyl]sulfanylacetic acid
CID 43352250
N-hydroxy-3-methoxysulfanylpropanamide
CID 134597099
3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80716632
3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107561
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 30827845

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide (CID 22287106) is 3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide is NC(=O)CSCCC(=O)NO.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide?
The InChIKey is HWWCOCCRJURMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c6-4(8)3-11-2-1-5(9)7-10/h10H,1-3H2,(H2,6,8)(H,7,9).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide has a molecular weight of 178.21 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide is sourced from PubChem (CID 22287106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).