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

C17H25FN2O3S — CID 98897468

IUPACN-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1
InChIInChI=1S/C17H25FN2O3S/c1-24(21,22)19-15-6-11-23-17(12-15)7-9-20(10-8-17)13-14-4-2-3-5-16(14)18/h2-5,15,19H,6-13H2,1H3/t15-/m1/s1
InChIKeyLBEOEEBLDSAKMR-OAHLLOKOSA-N
MW356.46 g/mol
LogP1.89
Rot. Bonds4

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

N-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide (PubChem CID 98897468) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
PubChem CID98897468
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1
InChIInChI=1S/C17H25FN2O3S/c1-24(21,22)19-15-6-11-23-17(12-15)7-9-20(10-8-17)13-14-4-2-3-5-16(14)18/h2-5,15,19H,6-13H2,1H3/t15-/m1/s1
InChIKeyLBEOEEBLDSAKMR-OAHLLOKOSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The IUPAC name of N-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide (CID 98897468) is N-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide.
What is the SMILES notation for N-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The canonical SMILES for N-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1.
What is the InChIKey of N-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The InChIKey is LBEOEEBLDSAKMR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-24(21,22)19-15-6-11-23-17(12-15)7-9-20(10-8-17)13-14-4-2-3-5-16(14)18/h2-5,15,19H,6-13H2,1H3/t15-/m1/s1.
What are the key properties of N-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
N-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide has a molecular weight of 356.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide is sourced from PubChem (CID 98897468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).