N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide

C13H24N2O3S — CID 126506529

IUPACN-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide
SMILESCN(C1COC2(CCNCC2)C1)S(=O)(=O)C1CCC1
InChIInChI=1S/C13H24N2O3S/c1-15(19(16,17)12-3-2-4-12)11-9-13(18-10-11)5-7-14-8-6-13/h11-12,14H,2-10H2,1H3
InChIKeyYVNUOIUVNZGWTG-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.71
Rot. Bonds3

About N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide

N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide (PubChem CID 126506529) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide
PubChem CID126506529
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide
SMILESCN(C1COC2(CCNCC2)C1)S(=O)(=O)C1CCC1
InChIInChI=1S/C13H24N2O3S/c1-15(19(16,17)12-3-2-4-12)11-9-13(18-10-11)5-7-14-8-6-13/h11-12,14H,2-10H2,1H3
InChIKeyYVNUOIUVNZGWTG-UHFFFAOYSA-N
XLogP0.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide?
The IUPAC name of N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide (CID 126506529) is N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide.
What is the SMILES notation for N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide?
The canonical SMILES for N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide is CN(C1COC2(CCNCC2)C1)S(=O)(=O)C1CCC1.
What is the InChIKey of N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide?
The InChIKey is YVNUOIUVNZGWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-15(19(16,17)12-3-2-4-12)11-9-13(18-10-11)5-7-14-8-6-13/h11-12,14H,2-10H2,1H3.
What are the key properties of N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide?
N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide has a molecular weight of 288.41 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)cyclobutanesulfonamide is sourced from PubChem (CID 126506529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).