(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C11H12FNO2S — CID 110721506

IUPAC(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCS(=O)CC1
InChIInChI=1S/C11H12FNO2S/c12-10-3-1-2-9(8-10)11(14)13-4-6-16(15)7-5-13/h1-3,8H,4-7H2
InChIKeyYBUXLNOTIUGSDD-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.03
Rot. Bonds1

About (3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 110721506) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is (3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID110721506
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC Name(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCS(=O)CC1
InChIInChI=1S/C11H12FNO2S/c12-10-3-1-2-9(8-10)11(14)13-4-6-16(15)7-5-13/h1-3,8H,4-7H2
InChIKeyYBUXLNOTIUGSDD-UHFFFAOYSA-N
XLogP1.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone
CID 110721543
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083054
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone
CID 141178396
[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347138

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 110721506) is (3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is O=C(c1cccc(F)c1)N1CCS(=O)CC1.
What is the InChIKey of (3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is YBUXLNOTIUGSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2S/c12-10-3-1-2-9(8-10)11(14)13-4-6-16(15)7-5-13/h1-3,8H,4-7H2.
What are the key properties of (3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 110721506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).