N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

C14H19ClN2O3S — CID 126788392

IUPACN-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1
InChIInChI=1S/C14H19ClN2O3S/c1-10-4-5-11(15)12(8-10)16-13(18)17-6-7-21(19,20)14(2,3)9-17/h4-5,8H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyBSMGHKZNLYWFAR-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.69
Rot. Bonds1

About N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 126788392) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID126788392
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1
InChIInChI=1S/C14H19ClN2O3S/c1-10-4-5-11(15)12(8-10)16-13(18)17-6-7-21(19,20)14(2,3)9-17/h4-5,8H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyBSMGHKZNLYWFAR-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 126788392) is N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is Cc1ccc(Cl)c(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is BSMGHKZNLYWFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-10-4-5-11(15)12(8-10)16-13(18)17-6-7-21(19,20)14(2,3)9-17/h4-5,8H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 126788392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).