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

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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).