N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide

C12H24N2O3S — CID 73440496

IUPACN-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide
SMILESCCN(C1CCOC2(CCNCC2)C1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-3-14(18(2,15)16)11-4-9-17-12(10-11)5-7-13-8-6-12/h11,13H,3-10H2,1-2H3
InChIKeyHVSVHEBAIOPUBG-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.57
Rot. Bonds3

About N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide

N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide (PubChem CID 73440496) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide
PubChem CID73440496
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide
SMILESCCN(C1CCOC2(CCNCC2)C1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-3-14(18(2,15)16)11-4-9-17-12(10-11)5-7-13-8-6-12/h11,13H,3-10H2,1-2H3
InChIKeyHVSVHEBAIOPUBG-UHFFFAOYSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide (CID 73440496) is N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide is CCN(C1CCOC2(CCNCC2)C1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide?
The InChIKey is HVSVHEBAIOPUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-14(18(2,15)16)11-4-9-17-12(10-11)5-7-13-8-6-12/h11,13H,3-10H2,1-2H3.
What are the key properties of N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide?
N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide is sourced from PubChem (CID 73440496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).