carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide

C12H15NO4S — CID 160755106

IUPACcarbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(N2CCS(=O)(=O)CC2)cc1.O=C=O
InChIInChI=1S/C11H15NO2S.CO2/c1-10-2-4-11(5-3-10)12-6-8-15(13,14)9-7-12;2-1-3/h2-5H,6-9H2,1H3;
InChIKeyRXIBQLRGDSOVFO-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.65
Rot. Bonds1

About carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide

carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 160755106) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Namecarbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
PubChem CID160755106
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Namecarbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(N2CCS(=O)(=O)CC2)cc1.O=C=O
InChIInChI=1S/C11H15NO2S.CO2/c1-10-2-4-11(5-3-10)12-6-8-15(13,14)9-7-12;2-1-3/h2-5H,6-9H2,1H3;
InChIKeyRXIBQLRGDSOVFO-UHFFFAOYSA-N
XLogP0.65
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide (CID 160755106) is carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide is Cc1ccc(N2CCS(=O)(=O)CC2)cc1.O=C=O.
What is the InChIKey of carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is RXIBQLRGDSOVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S.CO2/c1-10-2-4-11(5-3-10)12-6-8-15(13,14)9-7-12;2-1-3/h2-5H,6-9H2,1H3;.
What are the key properties of carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide?
carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 269.32 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 160755106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).