N-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

C13H24N2O3S — CID 97420112

IUPACN-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C3CCC3)C2)C1
InChIInChI=1S/C13H24N2O3S/c1-19(16,17)14-11-5-8-18-13(9-11)6-7-15(10-13)12-3-2-4-12/h11-12,14H,2-10H2,1H3/t11-,13+/m0/s1
InChIKeyHGZDAZRNBIXILG-WCQYABFASA-N
MW288.41 g/mol
LogP0.71
Rot. Bonds3

About N-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

N-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (PubChem CID 97420112) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
PubChem CID97420112
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C3CCC3)C2)C1
InChIInChI=1S/C13H24N2O3S/c1-19(16,17)14-11-5-8-18-13(9-11)6-7-15(10-13)12-3-2-4-12/h11-12,14H,2-10H2,1H3/t11-,13+/m0/s1
InChIKeyHGZDAZRNBIXILG-WCQYABFASA-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-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The IUPAC name of N-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (CID 97420112) is N-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.
What is the SMILES notation for N-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The canonical SMILES for N-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C3CCC3)C2)C1.
What is the InChIKey of N-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The InChIKey is HGZDAZRNBIXILG-WCQYABFASA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-19(16,17)14-11-5-8-18-13(9-11)6-7-15(10-13)12-3-2-4-12/h11-12,14H,2-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of N-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
N-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide 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-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is sourced from PubChem (CID 97420112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).