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

C12H21NO3S — CID 79112044

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide
SMILESCSCC(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H21NO3S/c1-13(11(14)9-17-2)10-3-5-12(6-4-10)15-7-8-16-12/h10H,3-9H2,1-2H3
InChIKeyNBVMZMMNPOQXBB-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.49
Rot. Bonds3

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide (PubChem CID 79112044) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide
PubChem CID79112044
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide
SMILESCSCC(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H21NO3S/c1-13(11(14)9-17-2)10-3-5-12(6-4-10)15-7-8-16-12/h10H,3-9H2,1-2H3
InChIKeyNBVMZMMNPOQXBB-UHFFFAOYSA-N
XLogP1.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
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)-N-methyl-2-methylsulfanylacetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide (CID 79112044) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide is CSCC(=O)N(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide?
The InChIKey is NBVMZMMNPOQXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-13(11(14)9-17-2)10-3-5-12(6-4-10)15-7-8-16-12/h10H,3-9H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-methylsulfanylacetamide has a molecular weight of 259.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 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)-N-methyl-2-methylsulfanylacetamide is sourced from PubChem (CID 79112044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).