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

C11H19NO3S — CID 112729566

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H19NO3S/c1-16-8-10(13)12-9-2-4-11(5-3-9)14-6-7-15-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyTWOVEZFQFYHFMA-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.15
Rot. Bonds3

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfanylacetamide (PubChem CID 112729566) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfanylacetamide
PubChem CID112729566
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H19NO3S/c1-16-8-10(13)12-9-2-4-11(5-3-9)14-6-7-15-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyTWOVEZFQFYHFMA-UHFFFAOYSA-N
XLogP1.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.15
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)-2-methylsulfanylacetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfanylacetamide (CID 112729566) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfanylacetamide is CSCC(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfanylacetamide?
The InChIKey is TWOVEZFQFYHFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-16-8-10(13)12-9-2-4-11(5-3-9)14-6-7-15-11/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfanylacetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylsulfanylacetamide has a molecular weight of 245.34 g/mol, XLogP of 1.15, 3 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)-2-methylsulfanylacetamide is sourced from PubChem (CID 112729566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).