N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C17H24FN3O3S — CID 56881390

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)C1CC2(CCNCC2)CN1
InChIInChI=1S/C17H24FN3O3S/c18-13-1-3-14(4-2-13)25(23,24)10-9-20-16(22)15-11-17(12-21-15)5-7-19-8-6-17/h1-4,15,19,21H,5-12H2,(H,20,22)
InChIKeyJZLJJIXUNKARRR-UHFFFAOYSA-N
MW369.46 g/mol
LogP0.45
Rot. Bonds5

About N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56881390) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56881390
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)C1CC2(CCNCC2)CN1
InChIInChI=1S/C17H24FN3O3S/c18-13-1-3-14(4-2-13)25(23,24)10-9-20-16(22)15-11-17(12-21-15)5-7-19-8-6-17/h1-4,15,19,21H,5-12H2,(H,20,22)
InChIKeyJZLJJIXUNKARRR-UHFFFAOYSA-N
XLogP0.45
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56881390) is N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCCS(=O)(=O)c1ccc(F)cc1)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is JZLJJIXUNKARRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c18-13-1-3-14(4-2-13)25(23,24)10-9-20-16(22)15-11-17(12-21-15)5-7-19-8-6-17/h1-4,15,19,21H,5-12H2,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56881390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).