cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone

C18H23FN2O5S — CID 172884724

IUPACcyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone
SMILESO=C(C1CC1)N1CCCOC2(C1)CN(S(=O)(=O)c1ccccc1F)CCO2
InChIInChI=1S/C18H23FN2O5S/c19-15-4-1-2-5-16(15)27(23,24)21-9-11-26-18(13-21)12-20(8-3-10-25-18)17(22)14-6-7-14/h1-2,4-5,14H,3,6-13H2
InChIKeyCZCZYKBWFVAVNL-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.20
Rot. Bonds3

About cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone

cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone (PubChem CID 172884724) has the molecular formula C18H23FN2O5S and a molecular weight of 398.46 g/mol. Its IUPAC name is cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone
PubChem CID172884724
Molecular FormulaC18H23FN2O5S
Molecular Weight398.46 g/mol
Exact Mass398.13
IUPAC Namecyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone
SMILESO=C(C1CC1)N1CCCOC2(C1)CN(S(=O)(=O)c1ccccc1F)CCO2
InChIInChI=1S/C18H23FN2O5S/c19-15-4-1-2-5-16(15)27(23,24)21-9-11-26-18(13-21)12-20(8-3-10-25-18)17(22)14-6-7-14/h1-2,4-5,14H,3,6-13H2
InChIKeyCZCZYKBWFVAVNL-UHFFFAOYSA-N
XLogP1.20
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone
CID 172884734
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone
CID 172884720
cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884690
(2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78780160
[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543854
1-(azepan-1-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
CID 8749372
4-[4-[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720984
(2S)-1-(azepan-1-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one
CID 9493522
4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
CID 172884801
1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276
(6R)-1-acetyl-4-(2-fluorophenyl)sulfonyl-1,4-diazepane-6-carboxamide
CID 124986027
azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene
CID 169240229

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone (CID 172884724) is cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone is O=C(C1CC1)N1CCCOC2(C1)CN(S(=O)(=O)c1ccccc1F)CCO2.
What is the InChIKey of cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone?
The InChIKey is CZCZYKBWFVAVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O5S/c19-15-4-1-2-5-16(15)27(23,24)21-9-11-26-18(13-21)12-20(8-3-10-25-18)17(22)14-6-7-14/h1-2,4-5,14H,3,6-13H2.
What are the key properties of cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone?
cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone has a molecular weight of 398.46 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone is sourced from PubChem (CID 172884724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).