8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

C17H24F2N2O3S — CID 91922103

IUPAC8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(S(=O)(=O)c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C17H24F2N2O3S/c1-20-10-13(11-24-2)17(12-20)3-5-21(6-4-17)25(22,23)16-8-14(18)7-15(19)9-16/h7-9,13H,3-6,10-12H2,1-2H3
InChIKeyYBXXZIUJJKLWKA-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.94
Rot. Bonds4

About 8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 91922103) has the molecular formula C17H24F2N2O3S and a molecular weight of 374.45 g/mol. Its IUPAC name is 8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID91922103
Molecular FormulaC17H24F2N2O3S
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC Name8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(S(=O)(=O)c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C17H24F2N2O3S/c1-20-10-13(11-24-2)17(12-20)3-5-21(6-4-17)25(22,23)16-8-14(18)7-15(19)9-16/h7-9,13H,3-6,10-12H2,1-2H3
InChIKeyYBXXZIUJJKLWKA-UHFFFAOYSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (CID 91922103) is 8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is COCC1CN(C)CC12CCN(S(=O)(=O)c1cc(F)cc(F)c1)CC2.
What is the InChIKey of 8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is YBXXZIUJJKLWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3S/c1-20-10-13(11-24-2)17(12-20)3-5-21(6-4-17)25(22,23)16-8-14(18)7-15(19)9-16/h7-9,13H,3-6,10-12H2,1-2H3.
What are the key properties of 8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 374.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).