(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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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).