1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide

C11H22N2O2S — CID 156624819

IUPAC1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
SMILESCC(C[C@H]1CCOC12CCNCC2)S(N)=O
InChIInChI=1S/C11H22N2O2S/c1-9(16(12)14)8-10-2-7-15-11(10)3-5-13-6-4-11/h9-10,13H,2-8,12H2,1H3/t9?,10-,16?/m1/s1
InChIKeyVNKSOXPTHSVIOV-IAZHFHGHSA-N
MW246.38 g/mol
LogP0.55
Rot. Bonds3

About 1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide

1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide (PubChem CID 156624819) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
PubChem CID156624819
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
SMILESCC(C[C@H]1CCOC12CCNCC2)S(N)=O
InChIInChI=1S/C11H22N2O2S/c1-9(16(12)14)8-10-2-7-15-11(10)3-5-13-6-4-11/h9-10,13H,2-8,12H2,1H3/t9?,10-,16?/m1/s1
InChIKeyVNKSOXPTHSVIOV-IAZHFHGHSA-N
XLogP0.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
CID 135238150
2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
CID 139427242
3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide
CID 139462894
(R)-2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
CID 149657718
1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
CID 156624820
1-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
CID 156624842
1-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 156624862
1-[(4S)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 156624868
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide
CID 163418620
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)ethanesulfonamide;hydrochloride
CID 166150808
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)ethanesulfonamide
CID 166150809
N-[8-(pyrrolidin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfinamide
CID 167205159

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The IUPAC name of 1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide (CID 156624819) is 1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide.
What is the SMILES notation for 1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The canonical SMILES for 1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide is CC(C[C@H]1CCOC12CCNCC2)S(N)=O.
What is the InChIKey of 1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The InChIKey is VNKSOXPTHSVIOV-IAZHFHGHSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(16(12)14)8-10-2-7-15-11(10)3-5-13-6-4-11/h9-10,13H,2-8,12H2,1H3/t9?,10-,16?/m1/s1.
What are the key properties of 1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide has a molecular weight of 246.38 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 156624819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).