(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone

C18H24FNO2S — CID 71856530

IUPAC(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
SMILESCC1(C)CN(C(=O)C2(c3ccc(F)cc3)CCCC2)CCS1=O
InChIInChI=1S/C18H24FNO2S/c1-17(2)13-20(11-12-23(17)22)16(21)18(9-3-4-10-18)14-5-7-15(19)8-6-14/h5-8H,3-4,9-13H2,1-2H3
InChIKeyFPPRAEBZSYGNDB-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.01
Rot. Bonds2

About (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone

(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone (PubChem CID 71856530) has the molecular formula C18H24FNO2S and a molecular weight of 337.46 g/mol. Its IUPAC name is (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
PubChem CID71856530
Molecular FormulaC18H24FNO2S
Molecular Weight337.46 g/mol
Exact Mass337.15
IUPAC Name(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
SMILESCC1(C)CN(C(=O)C2(c3ccc(F)cc3)CCCC2)CCS1=O
InChIInChI=1S/C18H24FNO2S/c1-17(2)13-20(11-12-23(17)22)16(21)18(9-3-4-10-18)14-5-7-15(19)8-6-14/h5-8H,3-4,9-13H2,1-2H3
InChIKeyFPPRAEBZSYGNDB-UHFFFAOYSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone
CID 97053355
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide
CID 51133844
(4-cyclohexyloxypiperidin-1-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 86873749
[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546090
[1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763134
[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 97325169
[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398088
(5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95720116
1-[1-(4-fluorophenyl)cyclohexanecarbonyl]-1,4-diazepan-5-one
CID 56821181
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate
CID 55972279
(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone
CID 36509634

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone?
The IUPAC name of (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone (CID 71856530) is (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone.
What is the SMILES notation for (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone?
The canonical SMILES for (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone is CC1(C)CN(C(=O)C2(c3ccc(F)cc3)CCCC2)CCS1=O.
What is the InChIKey of (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone?
The InChIKey is FPPRAEBZSYGNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2S/c1-17(2)13-20(11-12-23(17)22)16(21)18(9-3-4-10-18)14-5-7-15(19)8-6-14/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone?
(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone has a molecular weight of 337.46 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone is sourced from PubChem (CID 71856530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).