N-(1,1-dioxothiolan-2-yl)propanamide

C7H13NO3S — CID 150199244

IUPACN-(1,1-dioxothiolan-2-yl)propanamide
SMILESCCC(=O)NC1CCCS1(=O)=O
InChIInChI=1S/C7H13NO3S/c1-2-6(9)8-7-4-3-5-12(7,10)11/h7H,2-5H2,1H3,(H,8,9)
InChIKeyFPCNPCAUHRZYBP-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.05
Rot. Bonds2

About N-(1,1-dioxothiolan-2-yl)propanamide

N-(1,1-dioxothiolan-2-yl)propanamide (PubChem CID 150199244) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-2-yl)propanamide
PubChem CID150199244
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC NameN-(1,1-dioxothiolan-2-yl)propanamide
SMILESCCC(=O)NC1CCCS1(=O)=O
InChIInChI=1S/C7H13NO3S/c1-2-6(9)8-7-4-3-5-12(7,10)11/h7H,2-5H2,1H3,(H,8,9)
InChIKeyFPCNPCAUHRZYBP-UHFFFAOYSA-N
XLogP0.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.05
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-2-yl)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-2-yl)propanamide (CID 150199244) is N-(1,1-dioxothiolan-2-yl)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-2-yl)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-2-yl)propanamide is CCC(=O)NC1CCCS1(=O)=O.
What is the InChIKey of N-(1,1-dioxothiolan-2-yl)propanamide?
The InChIKey is FPCNPCAUHRZYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-2-6(9)8-7-4-3-5-12(7,10)11/h7H,2-5H2,1H3,(H,8,9).
What are the key properties of N-(1,1-dioxothiolan-2-yl)propanamide?
N-(1,1-dioxothiolan-2-yl)propanamide has a molecular weight of 191.25 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-2-yl)propanamide is sourced from PubChem (CID 150199244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).