N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C16H18N2O3S — CID 122192528

IUPACN,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)NC2CC2)=C(C2CC2)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H18N2O3S/c1-18-15(16(19)17-11-8-9-11)14(10-6-7-10)12-4-2-3-5-13(12)22(18,20)21/h2-5,10-11H,6-9H2,1H3,(H,17,19)
InChIKeyCSNJJLQBDRPFIO-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.72
Rot. Bonds3

About N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 122192528) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID122192528
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)NC2CC2)=C(C2CC2)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H18N2O3S/c1-18-15(16(19)17-11-8-9-11)14(10-6-7-10)12-4-2-3-5-13(12)22(18,20)21/h2-5,10-11H,6-9H2,1H3,(H,17,19)
InChIKeyCSNJJLQBDRPFIO-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 122192528) is N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CN1C(C(=O)NC2CC2)=C(C2CC2)c2ccccc2S1(=O)=O.
What is the InChIKey of N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is CSNJJLQBDRPFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-18-15(16(19)17-11-8-9-11)14(10-6-7-10)12-4-2-3-5-13(12)22(18,20)21/h2-5,10-11H,6-9H2,1H3,(H,17,19).
What are the key properties of N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dicyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 122192528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).