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

C12H24N2O2S — CID 156624820

IUPAC1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
SMILESCC(C[C@]1(C)COCC12CCNCC2)S(N)=O
InChIInChI=1S/C12H24N2O2S/c1-10(17(13)15)7-11(2)8-16-9-12(11)3-5-14-6-4-12/h10,14H,3-9,13H2,1-2H3/t10?,11-,17?/m1/s1
InChIKeyAWROKGNMZBUAKL-VVHFOWEKSA-N
MW260.40 g/mol
LogP0.79
Rot. Bonds3

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

1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide (PubChem CID 156624820) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
PubChem CID156624820
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
SMILESCC(C[C@]1(C)COCC12CCNCC2)S(N)=O
InChIInChI=1S/C12H24N2O2S/c1-10(17(13)15)7-11(2)8-16-9-12(11)3-5-14-6-4-12/h10,14H,3-9,13H2,1-2H3/t10?,11-,17?/m1/s1
InChIKeyAWROKGNMZBUAKL-VVHFOWEKSA-N
XLogP0.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-2-methyl-N-(4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl)propane-2-sulfinamide
CID 151922586
1-[(3S)-7-azaspiro[3.5]nonan-3-yl]propane-2-sulfinamide
CID 140765886
4-methyl-4-(2-methylpropyl)piperidine
CID 63156339
1-[(4S)-spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,4'-piperidine]-4-yl]propane-2-sulfinamide
CID 171768744
formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine
CID 143596022
4-fluoro-8-azaspiro[4.5]decan-4-amine
CID 141454971
4-(2-methylpropyl)-4-propan-2-ylpiperidine
CID 58970518
N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride
CID 130747775
2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide
CID 170339549
3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride
CID 120567172
N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
3-methyl-N-(4-methylpiperidin-4-yl)pentanamide
CID 114875717

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The IUPAC name of 1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide (CID 156624820) is 1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide.
What is the SMILES notation for 1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The canonical SMILES for 1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide is CC(C[C@]1(C)COCC12CCNCC2)S(N)=O.
What is the InChIKey of 1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The InChIKey is AWROKGNMZBUAKL-VVHFOWEKSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(17(13)15)7-11(2)8-16-9-12(11)3-5-14-6-4-12/h10,14H,3-9,13H2,1-2H3/t10?,11-,17?/m1/s1.
What are the key properties of 1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide has a molecular weight of 260.40 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 156624820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).