N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

C13H26N2O2S — CID 146308003

IUPACN-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1C[C@@H](O)CC12CCNCC2
InChIInChI=1S/C13H26N2O2S/c1-12(2,3)18(17)15-11-8-10(16)9-13(11)4-6-14-7-5-13/h10-11,14-16H,4-9H2,1-3H3/t10-,11-,18?/m1/s1
InChIKeyCGLCYZPLEYBWGE-LSSOAPJISA-N
MW274.43 g/mol
LogP0.93
Rot. Bonds2

About N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 146308003) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID146308003
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1C[C@@H](O)CC12CCNCC2
InChIInChI=1S/C13H26N2O2S/c1-12(2,3)18(17)15-11-8-10(16)9-13(11)4-6-14-7-5-13/h10-11,14-16H,4-9H2,1-3H3/t10-,11-,18?/m1/s1
InChIKeyCGLCYZPLEYBWGE-LSSOAPJISA-N
XLogP0.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-(7-azaspiro[3.5]nonan-2-yl)-2-methylpropane-2-sulfinamide
CID 139427337
tert-butyl (2R,4R)-4-[[(R)-tert-butylsulfinyl]amino]-2-hydroxy-8-azaspiro[4.5]decane-8-carboxylate;tert-butyl (2S,4R)-4-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylpropanoyloxy)-8-azaspiro[4.5]decane-8-carboxylate
CID 159454197
(R)-2-methyl-N-[(6S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]propane-2-sulfinamide
CID 151205866
(4R)-4-(tert-butylsulfinylamino)-2-(trifluoromethyl)-8-azaspiro[4.5]decane-8-carboxylic acid
CID 135185650
2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
CID 156636998
(R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide
CID 135068976
(R)-N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 164743854
N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide
CID 155408726
(R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide
CID 162375032
methyl 3-[(3S)-3-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]prop-2-ynoate
CID 171454761
(R)-2-methyl-N-[(4R)-3-methyl-8-azaspiro[4.5]decan-4-yl]butane-2-sulfinamide
CID 135294468
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (CID 146308003) is N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H]1C[C@@H](O)CC12CCNCC2.
What is the InChIKey of N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is CGLCYZPLEYBWGE-LSSOAPJISA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12(2,3)18(17)15-11-8-10(16)9-13(11)4-6-14-7-5-13/h10-11,14-16H,4-9H2,1-3H3/t10-,11-,18?/m1/s1.
What are the key properties of N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 274.43 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-2-hydroxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146308003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).