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

C19H25N3O3S — CID 17253523

IUPACN-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N(C)C3CCCCC3)=C2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14-9-11-15(12-10-14)17-13-18(22(3)26(24,25)20-17)19(23)21(2)16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3
InChIKeyYVJLUMXARODNNJ-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.65
Rot. Bonds3

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

N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253523) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253523
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N(C)C3CCCCC3)=C2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14-9-11-15(12-10-14)17-13-18(22(3)26(24,25)20-17)19(23)21(2)16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3
InChIKeyYVJLUMXARODNNJ-UHFFFAOYSA-N
XLogP2.65
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253523) is N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N(C)C3CCCCC3)=C2)cc1.
What is the InChIKey of N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is YVJLUMXARODNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-9-11-15(12-10-14)17-13-18(22(3)26(24,25)20-17)19(23)21(2)16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3.
What are the key properties of N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).