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

C9H15NO3S — CID 18573524

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H15NO3S/c1-10(9(11)7-2-3-7)8-4-5-14(12,13)6-8/h7-8H,2-6H2,1H3
InChIKeyWPPZMLSEOMPXGD-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.04
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide (PubChem CID 18573524) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide
PubChem CID18573524
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H15NO3S/c1-10(9(11)7-2-3-7)8-4-5-14(12,13)6-8/h7-8H,2-6H2,1H3
InChIKeyWPPZMLSEOMPXGD-UHFFFAOYSA-N
XLogP0.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide (CID 18573524) is N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide?
The InChIKey is WPPZMLSEOMPXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-10(9(11)7-2-3-7)8-4-5-14(12,13)6-8/h7-8H,2-6H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide has a molecular weight of 217.29 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 18573524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).