4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane

C19H26FNO4S — CID 91907702

IUPAC4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C19H26FNO4S/c20-16-3-5-18(6-4-16)26(22,23)21-10-8-19(9-11-21)13-17(7-12-25-19)24-14-15-1-2-15/h3-6,15,17H,1-2,7-14H2
InChIKeyLBGZMGNZYYODSB-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.95
Rot. Bonds5

About 4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane

4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 91907702) has the molecular formula C19H26FNO4S and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID91907702
Molecular FormulaC19H26FNO4S
Molecular Weight383.49 g/mol
Exact Mass383.16
IUPAC Name4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C19H26FNO4S/c20-16-3-5-18(6-4-16)26(22,23)21-10-8-19(9-11-21)13-17(7-12-25-19)24-14-15-1-2-15/h3-6,15,17H,1-2,7-14H2
InChIKeyLBGZMGNZYYODSB-UHFFFAOYSA-N
XLogP2.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane (CID 91907702) is 4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane is O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)CC(OCC1CC1)CCO2.
What is the InChIKey of 4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is LBGZMGNZYYODSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO4S/c20-16-3-5-18(6-4-16)26(22,23)21-10-8-19(9-11-21)13-17(7-12-25-19)24-14-15-1-2-15/h3-6,15,17H,1-2,7-14H2.
What are the key properties of 4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 383.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-9-(4-fluorophenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 91907702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).