ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide

C15H24N2O2S — CID 167496838

IUPACethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCC.Cc1cccc(N(C)C(=O)N2CCS(=O)CC2)c1
InChIInChI=1S/C13H18N2O2S.C2H6/c1-11-4-3-5-12(10-11)14(2)13(16)15-6-8-18(17)9-7-15;1-2/h3-5,10H,6-9H2,1-2H3;1-2H3
InChIKeyAYFLDRXETQRDRT-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.64
Rot. Bonds1

About ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide

ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide (PubChem CID 167496838) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide
PubChem CID167496838
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCC.Cc1cccc(N(C)C(=O)N2CCS(=O)CC2)c1
InChIInChI=1S/C13H18N2O2S.C2H6/c1-11-4-3-5-12(10-11)14(2)13(16)15-6-8-18(17)9-7-15;1-2/h3-5,10H,6-9H2,1-2H3;1-2H3
InChIKeyAYFLDRXETQRDRT-UHFFFAOYSA-N
XLogP2.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide (CID 167496838) is ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide is CC.Cc1cccc(N(C)C(=O)N2CCS(=O)CC2)c1.
What is the InChIKey of ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide?
The InChIKey is AYFLDRXETQRDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S.C2H6/c1-11-4-3-5-12(10-11)14(2)13(16)15-6-8-18(17)9-7-15;1-2/h3-5,10H,6-9H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide?
ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 167496838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).