4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide

C11H14FNO2S — CID 2767991

IUPAC4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C11H14FNO2S/c12-11-3-1-10(2-4-11)9-13-5-7-16(14,15)8-6-13/h1-4H,5-9H2
InChIKeyWITPYWNABUJHKE-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.06
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 2767991) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID2767991
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C11H14FNO2S/c12-11-3-1-10(2-4-11)9-13-5-7-16(14,15)8-6-13/h1-4H,5-9H2
InChIKeyWITPYWNABUJHKE-UHFFFAOYSA-N
XLogP1.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Methylbenzyl)thiomorpholine
CID 785812
4-[3-(Trifluoromethyl)benzyl]thiomorpholine
CID 792495
4-(3-Fluorobenzyl)thiomorpholine
CID 1377206
4-Benzylthiomorpholine 1,1-Dioxide
CID 318454
4-[(4-Methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2815708
1-Benzyl-4-(2-[(4-fluorophenyl)sulfonyl]ethyl)piperazine
CID 608940
4-[3-(Trifluoromethyl)benzyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 3325305
4-[2-(Trifluoromethyl)benzyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 3837112
4-Benzenesulfonyl-1-benzyl-piperidine
CID 11120635
4-(4-Chlorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 3743586
4-(3,4-Difluorobenzyl)thiomorpholine
CID 792677
4-(3-Chlorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 4351291

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 2767991) is 4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is WITPYWNABUJHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-11-3-1-10(2-4-11)9-13-5-7-16(14,15)8-6-13/h1-4H,5-9H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 243.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 2767991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).