1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide

C11H20N2O3S — CID 63624338

IUPAC1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide
SMILESO=C(NCCC1CCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c14-11(10-3-6-17(15,16)8-10)13-5-2-9-1-4-12-7-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyIXJCVCQFMZOBMO-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.46
Rot. Bonds4

About 1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide

1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide (PubChem CID 63624338) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide
PubChem CID63624338
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide
SMILESO=C(NCCC1CCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c14-11(10-3-6-17(15,16)8-10)13-5-2-9-1-4-12-7-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyIXJCVCQFMZOBMO-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide (CID 63624338) is 1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide is O=C(NCCC1CCNC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide?
The InChIKey is IXJCVCQFMZOBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-11(10-3-6-17(15,16)8-10)13-5-2-9-1-4-12-7-9/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of 1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide?
1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2-pyrrolidin-3-ylethyl)thiolane-3-carboxamide is sourced from PubChem (CID 63624338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).