N-propylsulfonylacetamide

C5H11NO3S — CID 18730112

IUPACN-propylsulfonylacetamide
SMILESCCCS(=O)(=O)NC(C)=O
InChIInChI=1S/C5H11NO3S/c1-3-4-10(8,9)6-5(2)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyZPUNAQZCTUFEAG-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.14
Rot. Bonds3

About N-propylsulfonylacetamide

N-propylsulfonylacetamide (PubChem CID 18730112) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is N-propylsulfonylacetamide.

Molecular Properties

Compound NameN-propylsulfonylacetamide
PubChem CID18730112
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC NameN-propylsulfonylacetamide
SMILESCCCS(=O)(=O)NC(C)=O
InChIInChI=1S/C5H11NO3S/c1-3-4-10(8,9)6-5(2)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyZPUNAQZCTUFEAG-UHFFFAOYSA-N
XLogP-0.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propylsulfonylacetamide?
The IUPAC name of N-propylsulfonylacetamide (CID 18730112) is N-propylsulfonylacetamide.
What is the SMILES notation for N-propylsulfonylacetamide?
The canonical SMILES for N-propylsulfonylacetamide is CCCS(=O)(=O)NC(C)=O.
What is the InChIKey of N-propylsulfonylacetamide?
The InChIKey is ZPUNAQZCTUFEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-3-4-10(8,9)6-5(2)7/h3-4H2,1-2H3,(H,6,7).
What are the key properties of N-propylsulfonylacetamide?
N-propylsulfonylacetamide has a molecular weight of 165.21 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylsulfonylacetamide is sourced from PubChem (CID 18730112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).