N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide

C19H27FN2O3S — CID 131641250

IUPACN-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCOC2(CCN(Cc3ccccc3F)CC2)C1)C1CC1
InChIInChI=1S/C19H27FN2O3S/c20-18-4-2-1-3-15(18)14-22-10-8-19(9-11-22)13-16(7-12-25-19)21-26(23,24)17-5-6-17/h1-4,16-17,21H,5-14H2
InChIKeyLOCLUGYQSCZHAC-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.42
Rot. Bonds5

About N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide

N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide (PubChem CID 131641250) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
PubChem CID131641250
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC NameN-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCOC2(CCN(Cc3ccccc3F)CC2)C1)C1CC1
InChIInChI=1S/C19H27FN2O3S/c20-18-4-2-1-3-15(18)14-22-10-8-19(9-11-22)13-16(7-12-25-19)21-26(23,24)17-5-6-17/h1-4,16-17,21H,5-14H2
InChIKeyLOCLUGYQSCZHAC-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide (CID 131641250) is N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCOC2(CCN(Cc3ccccc3F)CC2)C1)C1CC1.
What is the InChIKey of N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The InChIKey is LOCLUGYQSCZHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c20-18-4-2-1-3-15(18)14-22-10-8-19(9-11-22)13-16(7-12-25-19)21-26(23,24)17-5-6-17/h1-4,16-17,21H,5-14H2.
What are the key properties of N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide has a molecular weight of 382.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 131641250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).