(3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

C17H25FN2O3S — CID 97475655

IUPAC(3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)CN1C
InChIInChI=1S/C17H25FN2O3S/c1-19-13-17(11-15(19)12-23-2)6-8-20(9-7-17)24(21,22)16-5-3-4-14(18)10-16/h3-5,10,15H,6-9,11-13H2,1-2H3/t15-/m0/s1
InChIKeyPULPSSQCJJCXIX-HNNXBMFYSA-N
MW356.46 g/mol
LogP1.95
Rot. Bonds4

About (3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

(3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 97475655) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is (3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID97475655
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name(3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)CN1C
InChIInChI=1S/C17H25FN2O3S/c1-19-13-17(11-15(19)12-23-2)6-8-20(9-7-17)24(21,22)16-5-3-4-14(18)10-16/h3-5,10,15H,6-9,11-13H2,1-2H3/t15-/m0/s1
InChIKeyPULPSSQCJJCXIX-HNNXBMFYSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (CID 97475655) is (3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is COC[C@@H]1CC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)CN1C.
What is the InChIKey of (3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is PULPSSQCJJCXIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-19-13-17(11-15(19)12-23-2)6-8-20(9-7-17)24(21,22)16-5-3-4-14(18)10-16/h3-5,10,15H,6-9,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
(3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 356.46 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(3-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97475655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).