N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide

C17H24F2N2O3S — CID 133137059

IUPACN-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCOC2(CCN(Cc3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C17H24F2N2O3S/c1-25(22,23)20-15-4-9-24-17(11-15)5-7-21(8-6-17)12-13-10-14(18)2-3-16(13)19/h2-3,10,15,20H,4-9,11-12H2,1H3
InChIKeyMGOADHTURBJHAV-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.03
Rot. Bonds4

About N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide

N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide (PubChem CID 133137059) has the molecular formula C17H24F2N2O3S and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
PubChem CID133137059
Molecular FormulaC17H24F2N2O3S
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC NameN-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCOC2(CCN(Cc3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C17H24F2N2O3S/c1-25(22,23)20-15-4-9-24-17(11-15)5-7-21(8-6-17)12-13-10-14(18)2-3-16(13)19/h2-3,10,15,20H,4-9,11-12H2,1H3
InChIKeyMGOADHTURBJHAV-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The IUPAC name of N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide (CID 133137059) is N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide.
What is the SMILES notation for N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The canonical SMILES for N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCOC2(CCN(Cc3cc(F)ccc3F)CC2)C1.
What is the InChIKey of N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The InChIKey is MGOADHTURBJHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3S/c1-25(22,23)20-15-4-9-24-17(11-15)5-7-21(8-6-17)12-13-10-14(18)2-3-16(13)19/h2-3,10,15,20H,4-9,11-12H2,1H3.
What are the key properties of N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide has a molecular weight of 374.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide is sourced from PubChem (CID 133137059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).