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

C12H17NO2S — CID 2815708

IUPAC4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C12H17NO2S/c1-11-2-4-12(5-3-11)10-13-6-8-16(14,15)9-7-13/h2-5H,6-10H2,1H3
InChIKeyPBEMXBVPRZGFNM-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.23
Rot. Bonds2

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

4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 2815708) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID2815708
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C12H17NO2S/c1-11-2-4-12(5-3-11)10-13-6-8-16(14,15)9-7-13/h2-5H,6-10H2,1H3
InChIKeyPBEMXBVPRZGFNM-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 2815708) is 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide is Cc1ccc(CN2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is PBEMXBVPRZGFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-11-2-4-12(5-3-11)10-13-6-8-16(14,15)9-7-13/h2-5H,6-10H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 239.34 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 2815708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).