N-hydroxy-3-methoxysulfanylpropanamide

C4H9NO3S — CID 134597099

IUPACN-hydroxy-3-methoxysulfanylpropanamide
SMILESCOSCCC(=O)NO
InChIInChI=1S/C4H9NO3S/c1-8-9-3-2-4(6)5-7/h7H,2-3H2,1H3,(H,5,6)
InChIKeyKBUKOUIRSFYICB-UHFFFAOYSA-N
MW151.19 g/mol
LogP0.18
Rot. Bonds4

About N-hydroxy-3-methoxysulfanylpropanamide

N-hydroxy-3-methoxysulfanylpropanamide (PubChem CID 134597099) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is N-hydroxy-3-methoxysulfanylpropanamide.

Molecular Properties

Compound NameN-hydroxy-3-methoxysulfanylpropanamide
PubChem CID134597099
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC NameN-hydroxy-3-methoxysulfanylpropanamide
SMILESCOSCCC(=O)NO
InChIInChI=1S/C4H9NO3S/c1-8-9-3-2-4(6)5-7/h7H,2-3H2,1H3,(H,5,6)
InChIKeyKBUKOUIRSFYICB-UHFFFAOYSA-N
XLogP0.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methoxysulfanylpropanamide?
The IUPAC name of N-hydroxy-3-methoxysulfanylpropanamide (CID 134597099) is N-hydroxy-3-methoxysulfanylpropanamide.
What is the SMILES notation for N-hydroxy-3-methoxysulfanylpropanamide?
The canonical SMILES for N-hydroxy-3-methoxysulfanylpropanamide is COSCCC(=O)NO.
What is the InChIKey of N-hydroxy-3-methoxysulfanylpropanamide?
The InChIKey is KBUKOUIRSFYICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-8-9-3-2-4(6)5-7/h7H,2-3H2,1H3,(H,5,6).
What are the key properties of N-hydroxy-3-methoxysulfanylpropanamide?
N-hydroxy-3-methoxysulfanylpropanamide has a molecular weight of 151.19 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methoxysulfanylpropanamide is sourced from PubChem (CID 134597099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).