N-sulfinylpropanamide

C3H5NO2S — CID 174513933

IUPACN-sulfinylpropanamide
SMILESCCC(=O)N=S=O
InChIInChI=1S/C3H5NO2S/c1-2-3(5)4-7-6/h2H2,1H3
InChIKeyDBWHACNDQVJUKA-UHFFFAOYSA-N
MW119.14 g/mol
LogP0.32
Rot. Bonds1

About N-sulfinylpropanamide

N-sulfinylpropanamide (PubChem CID 174513933) has the molecular formula C3H5NO2S and a molecular weight of 119.14 g/mol. Its IUPAC name is N-sulfinylpropanamide.

Molecular Properties

Compound NameN-sulfinylpropanamide
PubChem CID174513933
Molecular FormulaC3H5NO2S
Molecular Weight119.14 g/mol
Exact Mass119.00
IUPAC NameN-sulfinylpropanamide
SMILESCCC(=O)N=S=O
InChIInChI=1S/C3H5NO2S/c1-2-3(5)4-7-6/h2H2,1H3
InChIKeyDBWHACNDQVJUKA-UHFFFAOYSA-N
XLogP0.32
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(hydroxymethylimino)propanamide
CID 20616809
propanoate;hydrate
CID 19032208
propanoate;tin(4+)
CID 167712674
propanoate;uranium(4+)
CID 51035197
propanoate;rubidium(1+)
CID 23716263
CID 57352970
CID 57352970
copper(1+);propanoate
CID 22149607
europium(2+);propanoate
CID 88778777
trisodium;propanoate
CID 86625665
indium(1+);propanoate
CID 101213769
1-[methyl(propanoyl)silyl]propan-1-one
CID 123469086
methylidene(propanoylimino)azanium
CID 157392884

Frequently Asked Questions

What is the IUPAC name of N-sulfinylpropanamide?
The IUPAC name of N-sulfinylpropanamide (CID 174513933) is N-sulfinylpropanamide.
What is the SMILES notation for N-sulfinylpropanamide?
The canonical SMILES for N-sulfinylpropanamide is CCC(=O)N=S=O.
What is the InChIKey of N-sulfinylpropanamide?
The InChIKey is DBWHACNDQVJUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2S/c1-2-3(5)4-7-6/h2H2,1H3.
What are the key properties of N-sulfinylpropanamide?
N-sulfinylpropanamide has a molecular weight of 119.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfinylpropanamide is sourced from PubChem (CID 174513933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).