N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide

C15H19F3N2O3S — CID 156778109

IUPACN-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N[C@H]1COC2(CCNCC2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3S/c16-15(17,18)11-2-1-3-13(8-11)24(21,22)20-12-9-14(23-10-12)4-6-19-7-5-14/h1-3,8,12,19-20H,4-7,9-10H2/t12-/m1/s1
InChIKeyFWDDYRDKGOVYPF-GFCCVEGCSA-N
MW364.39 g/mol
LogP1.89
Rot. Bonds3

About N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 156778109) has the molecular formula C15H19F3N2O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID156778109
Molecular FormulaC15H19F3N2O3S
Molecular Weight364.39 g/mol
Exact Mass364.11
IUPAC NameN-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N[C@H]1COC2(CCNCC2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3S/c16-15(17,18)11-2-1-3-13(8-11)24(21,22)20-12-9-14(23-10-12)4-6-19-7-5-14/h1-3,8,12,19-20H,4-7,9-10H2/t12-/m1/s1
InChIKeyFWDDYRDKGOVYPF-GFCCVEGCSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 156778109) is N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(N[C@H]1COC2(CCNCC2)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FWDDYRDKGOVYPF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19F3N2O3S/c16-15(17,18)11-2-1-3-13(8-11)24(21,22)20-12-9-14(23-10-12)4-6-19-7-5-14/h1-3,8,12,19-20H,4-7,9-10H2/t12-/m1/s1.
What are the key properties of N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 364.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 156778109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).