N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide

C13H26N2O3S — CID 135237429

IUPACN,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide
SMILESCN([C@H]1COC2(CCNCC2)C1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O3S/c1-12(2,3)19(16,17)15(4)11-9-13(18-10-11)5-7-14-8-6-13/h11,14H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyCMKBIPIFNYAQSP-LLVKDONJSA-N
MW290.43 g/mol
LogP0.96
Rot. Bonds2

About N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide

N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide (PubChem CID 135237429) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide
PubChem CID135237429
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide
SMILESCN([C@H]1COC2(CCNCC2)C1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O3S/c1-12(2,3)19(16,17)15(4)11-9-13(18-10-11)5-7-14-8-6-13/h11,14H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyCMKBIPIFNYAQSP-LLVKDONJSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide?
The IUPAC name of N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide (CID 135237429) is N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide is CN([C@H]1COC2(CCNCC2)C1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide?
The InChIKey is CMKBIPIFNYAQSP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-12(2,3)19(16,17)15(4)11-9-13(18-10-11)5-7-14-8-6-13/h11,14H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide?
N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 135237429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).