N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide

C13H21NO3S — CID 79111828

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C1CCSC1
InChIInChI=1S/C13H21NO3S/c15-12(10-3-8-18-9-10)14-11-1-4-13(5-2-11)16-6-7-17-13/h10-11H,1-9H2,(H,14,15)
InChIKeyJEYZVCIKTGGDOE-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.54
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide (PubChem CID 79111828) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide
PubChem CID79111828
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C1CCSC1
InChIInChI=1S/C13H21NO3S/c15-12(10-3-8-18-9-10)14-11-1-4-13(5-2-11)16-6-7-17-13/h10-11H,1-9H2,(H,14,15)
InChIKeyJEYZVCIKTGGDOE-UHFFFAOYSA-N
XLogP1.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide (CID 79111828) is N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide is O=C(NC1CCC2(CC1)OCCO2)C1CCSC1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide?
The InChIKey is JEYZVCIKTGGDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c15-12(10-3-8-18-9-10)14-11-1-4-13(5-2-11)16-6-7-17-13/h10-11H,1-9H2,(H,14,15).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide has a molecular weight of 271.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-3-carboxamide is sourced from PubChem (CID 79111828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).