N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C18H23N3O3S — CID 22515171

IUPACN-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC3CCCCC3)=C2)cc1
InChIInChI=1S/C18H23N3O3S/c1-13-8-10-14(11-9-13)16-12-17(21(2)25(23,24)20-16)18(22)19-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,19,22)
InChIKeyCSKBQYBLSBIKQV-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.31
Rot. Bonds3

About N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515171) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515171
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC3CCCCC3)=C2)cc1
InChIInChI=1S/C18H23N3O3S/c1-13-8-10-14(11-9-13)16-12-17(21(2)25(23,24)20-16)18(22)19-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,19,22)
InChIKeyCSKBQYBLSBIKQV-UHFFFAOYSA-N
XLogP2.31
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 22515171) is N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC3CCCCC3)=C2)cc1.
What is the InChIKey of N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is CSKBQYBLSBIKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-8-10-14(11-9-13)16-12-17(21(2)25(23,24)20-16)18(22)19-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,19,22).
What are the key properties of N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).