N-hydroxysulfanylpropanamide

C3H7NO2S — CID 88728130

IUPACN-hydroxysulfanylpropanamide
SMILESCCC(=O)NSO
InChIInChI=1S/C3H7NO2S/c1-2-3(5)4-7-6/h6H,2H2,1H3,(H,4,5)
InChIKeyBELGXWMAMLWQQR-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.63
Rot. Bonds2

About N-hydroxysulfanylpropanamide

N-hydroxysulfanylpropanamide (PubChem CID 88728130) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is N-hydroxysulfanylpropanamide.

Molecular Properties

Compound NameN-hydroxysulfanylpropanamide
PubChem CID88728130
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC NameN-hydroxysulfanylpropanamide
SMILESCCC(=O)NSO
InChIInChI=1S/C3H7NO2S/c1-2-3(5)4-7-6/h6H,2H2,1H3,(H,4,5)
InChIKeyBELGXWMAMLWQQR-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-hydroxysulfanylcarbamate
CID 175112420
N-bromopropanamide
CID 15647963
N-methylpropanamide;propane
CID 91316585
N-ethylpropanamide tetrafluoroborate
CID 88753462
S-(methylamino) propanethioate
CID 123915955
propanehydrazide;dihydrochloride
CID 121342206
CID 160664038
CID 160664038
ethane;propanehydrazide
CID 143310399
S-[(propanoylamino)methyl] ethanethioate
CID 87961608
azane;propanehydrazide;hydroiodide
CID 174716911
acetylene;N-ethylpropanamide
CID 143477358
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019

Frequently Asked Questions

What is the IUPAC name of N-hydroxysulfanylpropanamide?
The IUPAC name of N-hydroxysulfanylpropanamide (CID 88728130) is N-hydroxysulfanylpropanamide.
What is the SMILES notation for N-hydroxysulfanylpropanamide?
The canonical SMILES for N-hydroxysulfanylpropanamide is CCC(=O)NSO.
What is the InChIKey of N-hydroxysulfanylpropanamide?
The InChIKey is BELGXWMAMLWQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-2-3(5)4-7-6/h6H,2H2,1H3,(H,4,5).
What are the key properties of N-hydroxysulfanylpropanamide?
N-hydroxysulfanylpropanamide has a molecular weight of 121.16 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxysulfanylpropanamide is sourced from PubChem (CID 88728130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).