2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C16H23FN2O3S — CID 91910498

IUPAC2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2ccc(F)cc2)CC12CCNCC2
InChIInChI=1S/C16H23FN2O3S/c1-22-11-13-10-19(12-16(13)6-8-18-9-7-16)23(20,21)15-4-2-14(17)3-5-15/h2-5,13,18H,6-12H2,1H3
InChIKeyJLOUSMKMLFMPRF-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.46
Rot. Bonds4

About 2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91910498) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91910498
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2ccc(F)cc2)CC12CCNCC2
InChIInChI=1S/C16H23FN2O3S/c1-22-11-13-10-19(12-16(13)6-8-18-9-7-16)23(20,21)15-4-2-14(17)3-5-15/h2-5,13,18H,6-12H2,1H3
InChIKeyJLOUSMKMLFMPRF-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91910498) is 2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(S(=O)(=O)c2ccc(F)cc2)CC12CCNCC2.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is JLOUSMKMLFMPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-22-11-13-10-19(12-16(13)6-8-18-9-7-16)23(20,21)15-4-2-14(17)3-5-15/h2-5,13,18H,6-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 342.44 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).