4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide

C11H14ClNO2S — CID 4516450

IUPAC4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C11H14ClNO2S/c12-11-4-2-1-3-10(11)9-13-5-7-16(14,15)8-6-13/h1-4H,5-9H2
InChIKeyWNKYGVVAZVHOCC-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.57
Rot. Bonds2

About 4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 4516450) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID4516450
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C11H14ClNO2S/c12-11-4-2-1-3-10(11)9-13-5-7-16(14,15)8-6-13/h1-4H,5-9H2
InChIKeyWNKYGVVAZVHOCC-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 4516450) is 4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is WNKYGVVAZVHOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-11-4-2-1-3-10(11)9-13-5-7-16(14,15)8-6-13/h1-4H,5-9H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 259.76 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 4516450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).