8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one

C18H23FN2O3S — CID 134070540

IUPAC8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESC=CCN1C(=O)CCCC12CCCN(S(=O)(=O)c1ccccc1F)C2
InChIInChI=1S/C18H23FN2O3S/c1-2-12-21-17(22)9-5-10-18(21)11-6-13-20(14-18)25(23,24)16-8-4-3-7-15(16)19/h2-4,7-8H,1,5-6,9-14H2
InChIKeyHMLXLNGWNGHQRP-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.55
Rot. Bonds4

About 8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one

8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 134070540) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is 8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID134070540
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Name8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESC=CCN1C(=O)CCCC12CCCN(S(=O)(=O)c1ccccc1F)C2
InChIInChI=1S/C18H23FN2O3S/c1-2-12-21-17(22)9-5-10-18(21)11-6-13-20(14-18)25(23,24)16-8-4-3-7-15(16)19/h2-4,7-8H,1,5-6,9-14H2
InChIKeyHMLXLNGWNGHQRP-UHFFFAOYSA-N
XLogP2.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.55
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

1-prop-2-enyl-8-thiophen-2-ylsulfonyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131652177
(6S)-8-(3-phenylpropanoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495559
N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 134070535
9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
CID 131644737
2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849967
8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134070533
8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131644825
8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131646426
(5R)-9-(3-fluoro-4-methylphenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
CID 97481900
(6R)-8-[2-(4-methoxyphenyl)acetyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398658
(6R)-8-(3-methoxybenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495563
3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane
CID 62866197

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one (CID 134070540) is 8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one is C=CCN1C(=O)CCCC12CCCN(S(=O)(=O)c1ccccc1F)C2.
What is the InChIKey of 8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is HMLXLNGWNGHQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c1-2-12-21-17(22)9-5-10-18(21)11-6-13-20(14-18)25(23,24)16-8-4-3-7-15(16)19/h2-4,7-8H,1,5-6,9-14H2.
What are the key properties of 8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 366.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)sulfonyl-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 134070540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).