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

C17H24FN3O3S — CID 95706792

IUPAC(3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CC2(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)/t15-/m1/s1
InChIKeyJZLJJIXUNKARRR-OAHLLOKOSA-N
MW369.46 g/mol
LogP0.45
Rot. Bonds5

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

(3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95706792) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is (3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95706792
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name(3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CC2(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)/t15-/m1/s1
InChIKeyJZLJJIXUNKARRR-OAHLLOKOSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((S,E)-5-Phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)pyrrolidine-2-carboxamide
CID 23643997
4-(4-((4-Fluorophenyl)sulfonyl)butanoyl)-3,3-dimethylpiperazin-2-one
CID 16863882
(2S)-1-acetyl-N-[(2S)-6-amino-1-[[(2S)-1-[[(E,3S)-5-amino-1-(benzenesulfonyl)-5-oxopent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
CID 44421215
N-(11-Dioxo-1lambda6-thiolan-3-YL)-3-[1-(4-fluorobenzenesulfonyl)piperidin-3-YL]propanamide
CID 91903758
N-(11-Dioxo-1lambda6-thiolan-3-YL)-3-[1-(2-fluorobenzenesulfonyl)piperidin-4-YL]propanamide
CID 91903805
N-(11-Dioxo-1lambda6-thiolan-3-YL)-3-[1-(2-fluorobenzenesulfonyl)piperidin-3-YL]propanamide
CID 91913353
1-[(3-fluorophenyl)sulfonyl]tetrahydrospiro[piperidine-4,7'-pyrrolo[1,2-{a}]pyrazin]-1'(2'{H})-one
CID 91923655
1-[(2-fluorobenzyl)sulfonyl]tetrahydrospiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'(2'H)-one
CID 91923662
3-[1-(Benzenesulfonyl)piperidin-3-YL]-N-(11-dioxo-1lambda6-thiolan-3-YL)propanamide
CID 91903755
3-[1-(Benzenesulfonyl)piperidin-4-YL]-N-(11-dioxo-1lambda6-thiolan-3-YL)propanamide
CID 91903798
1-(phenylsulfonyl)tetrahydrospiro[piperidine-4,7'-pyrrolo[1,2-{a}]pyrazin]-1'(2'{H})-one
CID 91923652
N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide
CID 51127471

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95706792) is (3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CC2(CCNCC2)CN1.
What is the InChIKey of (3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is JZLJJIXUNKARRR-OAHLLOKOSA-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)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-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 (3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95706792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).