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

C15H25F3N2O5S — CID 155830267

IUPACN-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N2O3S.C2HF3O2/c1-19(16,17)14-11-5-8-18-13(9-11)6-7-15(10-13)12-3-2-4-12;3-2(4,5)1(6)7/h11-12,14H,2-10H2,1H3;(H,6,7)/t11-,13-;/m1./s1
InChIKeyNFSQTIBODRJCRL-LOCPCMAASA-N
MW402.44 g/mol
LogP1.34
Rot. Bonds3

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

N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155830267) has the molecular formula C15H25F3N2O5S and a molecular weight of 402.44 g/mol. Its IUPAC name is N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155830267
Molecular FormulaC15H25F3N2O5S
Molecular Weight402.44 g/mol
Exact Mass402.14
IUPAC NameN-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N2O3S.C2HF3O2/c1-19(16,17)14-11-5-8-18-13(9-11)6-7-15(10-13)12-3-2-4-12;3-2(4,5)1(6)7/h11-12,14H,2-10H2,1H3;(H,6,7)/t11-,13-;/m1./s1
InChIKeyNFSQTIBODRJCRL-LOCPCMAASA-N
XLogP1.34
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155830267) is N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid is CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is NFSQTIBODRJCRL-LOCPCMAASA-N. The full InChI is InChI=1S/C13H24N2O3S.C2HF3O2/c1-19(16,17)14-11-5-8-18-13(9-11)6-7-15(10-13)12-3-2-4-12;3-2(4,5)1(6)7/h11-12,14H,2-10H2,1H3;(H,6,7)/t11-,13-;/m1./s1.
What are the key properties of N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 402.44 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).