N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide

C13H17NO3S — CID 3354646

IUPACN-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H17NO3S/c15-13(7-6-11-4-2-1-3-5-11)14-12-8-9-18(16,17)10-12/h1-5,12H,6-10H2,(H,14,15)
InChIKeyAXSKNKBACKJSLZ-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.92
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide

N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide (PubChem CID 3354646) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide
PubChem CID3354646
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H17NO3S/c15-13(7-6-11-4-2-1-3-5-11)14-12-8-9-18(16,17)10-12/h1-5,12H,6-10H2,(H,14,15)
InChIKeyAXSKNKBACKJSLZ-UHFFFAOYSA-N
XLogP0.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide (CID 3354646) is N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide?
The InChIKey is AXSKNKBACKJSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-13(7-6-11-4-2-1-3-5-11)14-12-8-9-18(16,17)10-12/h1-5,12H,6-10H2,(H,14,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide?
N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide has a molecular weight of 267.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 3354646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).