3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide

C15H26N2O5S — CID 109026584

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
SMILESCN(C(=O)CCN1CCC2(CC1)OCCO2)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H26N2O5S/c1-16(13-3-11-23(19,20)12-13)14(18)2-6-17-7-4-15(5-8-17)21-9-10-22-15/h13H,2-12H2,1H3
InChIKeyXCBYPISACWGBKW-UHFFFAOYSA-N
MW346.45 g/mol
LogP-0.14
Rot. Bonds4

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide (PubChem CID 109026584) has the molecular formula C15H26N2O5S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
PubChem CID109026584
Molecular FormulaC15H26N2O5S
Molecular Weight346.45 g/mol
Exact Mass346.16
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
SMILESCN(C(=O)CCN1CCC2(CC1)OCCO2)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H26N2O5S/c1-16(13-3-11-23(19,20)12-13)14(18)2-6-17-7-4-15(5-8-17)21-9-10-22-15/h13H,2-12H2,1H3
InChIKeyXCBYPISACWGBKW-UHFFFAOYSA-N
XLogP-0.14
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide (CID 109026584) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide is CN(C(=O)CCN1CCC2(CC1)OCCO2)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The InChIKey is XCBYPISACWGBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5S/c1-16(13-3-11-23(19,20)12-13)14(18)2-6-17-7-4-15(5-8-17)21-9-10-22-15/h13H,2-12H2,1H3.
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide has a molecular weight of 346.45 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide is sourced from PubChem (CID 109026584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).