(3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C16H23FN2O3S — CID 97450586

IUPAC(3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)[C@H]1COC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C16H23FN2O3S/c1-18(2)14-11-16(22-12-14)7-9-19(10-8-16)23(20,21)15-5-3-13(17)4-6-15/h3-6,14H,7-12H2,1-2H3/t14-/m1/s1
InChIKeySWAOCFNOKSDDLT-CQSZACIVSA-N
MW342.44 g/mol
LogP1.70
Rot. Bonds3

About (3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

(3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 97450586) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID97450586
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name(3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)[C@H]1COC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C16H23FN2O3S/c1-18(2)14-11-16(22-12-14)7-9-19(10-8-16)23(20,21)15-5-3-13(17)4-6-15/h3-6,14H,7-12H2,1-2H3/t14-/m1/s1
InChIKeySWAOCFNOKSDDLT-CQSZACIVSA-N
XLogP1.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-8-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371282
8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169144154
(3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371297
8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91802635
(3S,5R)-7-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124520610
8-(4-fluorophenyl)sulfonyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155852803
4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)sulfonylpiperidin-4-ol
CID 652940
7-(4-fluorophenyl)sulfonyl-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155854814
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97397045
2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
CID 118386146

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 97450586) is (3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(C)[C@H]1COC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of (3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is SWAOCFNOKSDDLT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-18(2)14-11-16(22-12-14)7-9-19(10-8-16)23(20,21)15-5-3-13(17)4-6-15/h3-6,14H,7-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
(3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 342.44 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97450586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).