(8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane

C14H18FNO4S — CID 124804203

IUPAC(8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1cccc(F)c1)C2
InChIInChI=1S/C14H18FNO4S/c1-19-12-5-6-20-14(8-12)9-16(10-14)21(17,18)13-4-2-3-11(15)7-13/h2-4,7,12H,5-6,8-10H2,1H3/t12-/m0/s1
InChIKeyUVTSIPSULCGULX-LBPRGKRZSA-N
MW315.37 g/mol
LogP1.39
Rot. Bonds3

About (8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124804203) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is (8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124804203
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name(8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1cccc(F)c1)C2
InChIInChI=1S/C14H18FNO4S/c1-19-12-5-6-20-14(8-12)9-16(10-14)21(17,18)13-4-2-3-11(15)7-13/h2-4,7,12H,5-6,8-10H2,1H3/t12-/m0/s1
InChIKeyUVTSIPSULCGULX-LBPRGKRZSA-N
XLogP1.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124800923
(8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124800681
(3S)-3-methoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 97450738
2-(3-fluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 90537520
2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91917976
2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 155880821
(8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124779208
8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131639072
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927
(8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124811015
[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 4-(3-fluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 126502728

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane (CID 124804203) is (8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane is CO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1cccc(F)c1)C2.
What is the InChIKey of (8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is UVTSIPSULCGULX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-19-12-5-6-20-14(8-12)9-16(10-14)21(17,18)13-4-2-3-11(15)7-13/h2-4,7,12H,5-6,8-10H2,1H3/t12-/m0/s1.
What are the key properties of (8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 315.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124804203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).