N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide

C17H25FN2O3S — CID 124782027

IUPACN-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2)O1
InChIInChI=1S/C17H25FN2O3S/c1-24(21,22)19-11-16-6-3-7-17(23-16)8-9-20(13-17)12-14-4-2-5-15(18)10-14/h2,4-5,10,16,19H,3,6-9,11-13H2,1H3/t16-,17-/m0/s1
InChIKeyCZLNBLHPVHPXLW-IRXDYDNUSA-N
MW356.46 g/mol
LogP1.89
Rot. Bonds5

About N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide

N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide (PubChem CID 124782027) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
PubChem CID124782027
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2)O1
InChIInChI=1S/C17H25FN2O3S/c1-24(21,22)19-11-16-6-3-7-17(23-16)8-9-20(13-17)12-14-4-2-5-15(18)10-14/h2,4-5,10,16,19H,3,6-9,11-13H2,1H3/t16-,17-/m0/s1
InChIKeyCZLNBLHPVHPXLW-IRXDYDNUSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide (CID 124782027) is N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2)O1.
What is the InChIKey of N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The InChIKey is CZLNBLHPVHPXLW-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-24(21,22)19-11-16-6-3-7-17(23-16)8-9-20(13-17)12-14-4-2-5-15(18)10-14/h2,4-5,10,16,19H,3,6-9,11-13H2,1H3/t16-,17-/m0/s1.
What are the key properties of N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide has a molecular weight of 356.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124782027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).