N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C14H24N2O5S — CID 108989711

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCN(C(=O)N1CCC2(CC1)OCCO2)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H24N2O5S/c1-2-16(12-3-10-22(18,19)11-12)13(17)15-6-4-14(5-7-15)20-8-9-21-14/h12H,2-11H2,1H3
InChIKeySITUILIJODPVGT-UHFFFAOYSA-N
MW332.42 g/mol
LogP0.45
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 108989711) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID108989711
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCN(C(=O)N1CCC2(CC1)OCCO2)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H24N2O5S/c1-2-16(12-3-10-22(18,19)11-12)13(17)15-6-4-14(5-7-15)20-8-9-21-14/h12H,2-11H2,1H3
InChIKeySITUILIJODPVGT-UHFFFAOYSA-N
XLogP0.45
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 108989711) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CCN(C(=O)N1CCC2(CC1)OCCO2)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is SITUILIJODPVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5S/c1-2-16(12-3-10-22(18,19)11-12)13(17)15-6-4-14(5-7-15)20-8-9-21-14/h12H,2-11H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 108989711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).