N-propanoylsulfinamoylpropanamide

C6H12N2O3S — CID 21014719

IUPACN-propanoylsulfinamoylpropanamide
SMILESCCC(=O)NS(=O)NC(=O)CC
InChIInChI=1S/C6H12N2O3S/c1-3-5(9)7-12(11)8-6(10)4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyXEYHFXMKQBJDTD-UHFFFAOYSA-N
MW192.24 g/mol
LogP-0.38
Rot. Bonds4

About N-propanoylsulfinamoylpropanamide

N-propanoylsulfinamoylpropanamide (PubChem CID 21014719) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is N-propanoylsulfinamoylpropanamide.

Molecular Properties

Compound NameN-propanoylsulfinamoylpropanamide
PubChem CID21014719
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC NameN-propanoylsulfinamoylpropanamide
SMILESCCC(=O)NS(=O)NC(=O)CC
InChIInChI=1S/C6H12N2O3S/c1-3-5(9)7-12(11)8-6(10)4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyXEYHFXMKQBJDTD-UHFFFAOYSA-N
XLogP-0.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propanoylsulfinamoylpropanamide?
The IUPAC name of N-propanoylsulfinamoylpropanamide (CID 21014719) is N-propanoylsulfinamoylpropanamide.
What is the SMILES notation for N-propanoylsulfinamoylpropanamide?
The canonical SMILES for N-propanoylsulfinamoylpropanamide is CCC(=O)NS(=O)NC(=O)CC.
What is the InChIKey of N-propanoylsulfinamoylpropanamide?
The InChIKey is XEYHFXMKQBJDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-3-5(9)7-12(11)8-6(10)4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of N-propanoylsulfinamoylpropanamide?
N-propanoylsulfinamoylpropanamide has a molecular weight of 192.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propanoylsulfinamoylpropanamide is sourced from PubChem (CID 21014719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).