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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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).