9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane

C17H23FN2O2S — CID 131644737

IUPAC9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
SMILESC=CCN1CCCC12CCCN(S(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C17H23FN2O2S/c1-2-11-19-12-3-9-17(19)10-4-13-20(14-17)23(21,22)16-7-5-15(18)6-8-16/h2,5-8H,1,3-4,9-14H2
InChIKeyLXXUPICUWYCJHT-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.63
Rot. Bonds4

About 9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane

9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane (PubChem CID 131644737) has the molecular formula C17H23FN2O2S and a molecular weight of 338.45 g/mol. Its IUPAC name is 9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
PubChem CID131644737
Molecular FormulaC17H23FN2O2S
Molecular Weight338.45 g/mol
Exact Mass338.15
IUPAC Name9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
SMILESC=CCN1CCCC12CCCN(S(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C17H23FN2O2S/c1-2-11-19-12-3-9-17(19)10-4-13-20(14-17)23(21,22)16-7-5-15(18)6-8-16/h2,5-8H,1,3-4,9-14H2
InChIKeyLXXUPICUWYCJHT-UHFFFAOYSA-N
XLogP2.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-9-(3-fluoro-4-methylphenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
CID 97481900
9-(3-methoxyphenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155858080
8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134070540
(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97484696
1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone
CID 97393443
[1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 72844633
2-[(3S)-1-(4-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 124977428
(3R)-1-(4-acetylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088314
(5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482135
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1-prop-2-enyl-8-thiophen-2-ylsulfonyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131652177
7-(benzenesulfonyl)-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,7-diazaspiro[4.4]nonane
CID 134074739

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane (CID 131644737) is 9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane is C=CCN1CCCC12CCCN(S(=O)(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane?
The InChIKey is LXXUPICUWYCJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2S/c1-2-11-19-12-3-9-17(19)10-4-13-20(14-17)23(21,22)16-7-5-15(18)6-8-16/h2,5-8H,1,3-4,9-14H2.
What are the key properties of 9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane?
9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane has a molecular weight of 338.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131644737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).