N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide

C16H25FN2O4S — CID 131686512

IUPACN-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
SMILESO=C(N1CCC2(CC1)CC(NS(=O)(=O)C1CC1)CCO2)C1(F)CC1
InChIInChI=1S/C16H25FN2O4S/c17-16(4-5-16)14(20)19-8-6-15(7-9-19)11-12(3-10-23-15)18-24(21,22)13-1-2-13/h12-13,18H,1-11H2
InChIKeyGZXKOZHILFCHLZ-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.11
Rot. Bonds4

About N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide

N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide (PubChem CID 131686512) has the molecular formula C16H25FN2O4S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
PubChem CID131686512
Molecular FormulaC16H25FN2O4S
Molecular Weight360.45 g/mol
Exact Mass360.15
IUPAC NameN-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
SMILESO=C(N1CCC2(CC1)CC(NS(=O)(=O)C1CC1)CCO2)C1(F)CC1
InChIInChI=1S/C16H25FN2O4S/c17-16(4-5-16)14(20)19-8-6-15(7-9-19)11-12(3-10-23-15)18-24(21,22)13-1-2-13/h12-13,18H,1-11H2
InChIKeyGZXKOZHILFCHLZ-UHFFFAOYSA-N
XLogP1.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide (CID 131686512) is N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide is O=C(N1CCC2(CC1)CC(NS(=O)(=O)C1CC1)CCO2)C1(F)CC1.
What is the InChIKey of N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The InChIKey is GZXKOZHILFCHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O4S/c17-16(4-5-16)14(20)19-8-6-15(7-9-19)11-12(3-10-23-15)18-24(21,22)13-1-2-13/h12-13,18H,1-11H2.
What are the key properties of N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide has a molecular weight of 360.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 131686512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).