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

C10H17NO3S — CID 18573525

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide
SMILESCCN(C(=O)C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO3S/c1-2-11(10(12)8-3-4-8)9-5-6-15(13,14)7-9/h8-9H,2-7H2,1H3
InChIKeyLJGPEBPZUZNGNT-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.43
Rot. Bonds3

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

N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide (PubChem CID 18573525) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide
PubChem CID18573525
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide
SMILESCCN(C(=O)C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO3S/c1-2-11(10(12)8-3-4-8)9-5-6-15(13,14)7-9/h8-9H,2-7H2,1H3
InChIKeyLJGPEBPZUZNGNT-UHFFFAOYSA-N
XLogP0.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.43
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-ethylcyclopropanecarboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide (CID 18573525) is N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide is CCN(C(=O)C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide?
The InChIKey is LJGPEBPZUZNGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-2-11(10(12)8-3-4-8)9-5-6-15(13,14)7-9/h8-9H,2-7H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide has a molecular weight of 231.32 g/mol, XLogP of 0.43, 3 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-ethylcyclopropanecarboxamide is sourced from PubChem (CID 18573525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).