1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

C14H28N2O2S — CID 156624862

IUPAC1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(C)COC2(CCNCC2)[C@@H]1CC(C)(C)S(N)=O
InChIInChI=1S/C14H28N2O2S/c1-12(2)10-18-14(5-7-16-8-6-14)11(12)9-13(3,4)19(15)17/h11,16H,5-10,15H2,1-4H3/t11-,19?/m1/s1
InChIKeyUIOXYTORFARCJF-AMIJKRQISA-N
MW288.46 g/mol
LogP1.57
Rot. Bonds3

About 1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 156624862) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID156624862
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(C)COC2(CCNCC2)[C@@H]1CC(C)(C)S(N)=O
InChIInChI=1S/C14H28N2O2S/c1-12(2)10-18-14(5-7-16-8-6-14)11(12)9-13(3,4)19(15)17/h11,16H,5-10,15H2,1-4H3/t11-,19?/m1/s1
InChIKeyUIOXYTORFARCJF-AMIJKRQISA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of 1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (CID 156624862) is 1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for 1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for 1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is CC1(C)COC2(CCNCC2)[C@@H]1CC(C)(C)S(N)=O.
What is the InChIKey of 1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is UIOXYTORFARCJF-AMIJKRQISA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(2)10-18-14(5-7-16-8-6-14)11(12)9-13(3,4)19(15)17/h11,16H,5-10,15H2,1-4H3/t11-,19?/m1/s1.
What are the key properties of 1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 288.46 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 156624862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).