N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide

C14H23NO5S — CID 104519493

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C1CCCCS1(=O)=O
InChIInChI=1S/C14H23NO5S/c16-13(12-3-1-2-10-21(12,17)18)15-11-4-6-14(7-5-11)19-8-9-20-14/h11-12H,1-10H2,(H,15,16)
InChIKeyZUYVUJSVJGQUSR-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.76
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide (PubChem CID 104519493) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide
PubChem CID104519493
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C1CCCCS1(=O)=O
InChIInChI=1S/C14H23NO5S/c16-13(12-3-1-2-10-21(12,17)18)15-11-4-6-14(7-5-11)19-8-9-20-14/h11-12H,1-10H2,(H,15,16)
InChIKeyZUYVUJSVJGQUSR-UHFFFAOYSA-N
XLogP0.76
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide (CID 104519493) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide is O=C(NC1CCC2(CC1)OCCO2)C1CCCCS1(=O)=O.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide?
The InChIKey is ZUYVUJSVJGQUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c16-13(12-3-1-2-10-21(12,17)18)15-11-4-6-14(7-5-11)19-8-9-20-14/h11-12H,1-10H2,(H,15,16).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 104519493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).