3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane

C15H21FN2O3S — CID 46846810

IUPAC3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane
SMILESCC1OC2(CCN(C)CC2)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c1-12-18(11-15(21-12)7-9-17(2)10-8-15)22(19,20)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3
InChIKeyPBDLGJLDXIGXFO-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.66
Rot. Bonds2

About 3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane

3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane (PubChem CID 46846810) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane
PubChem CID46846810
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane
SMILESCC1OC2(CCN(C)CC2)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c1-12-18(11-15(21-12)7-9-17(2)10-8-15)22(19,20)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3
InChIKeyPBDLGJLDXIGXFO-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane (CID 46846810) is 3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane is CC1OC2(CCN(C)CC2)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane?
The InChIKey is PBDLGJLDXIGXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-12-18(11-15(21-12)7-9-17(2)10-8-15)22(19,20)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane?
3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane has a molecular weight of 328.41 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane is sourced from PubChem (CID 46846810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).