2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C13H22N4O3S — CID 127335976

IUPAC2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCS(=O)(=O)C(C)C1C
InChIInChI=1S/C13H22N4O3S/c1-8-13(9(2)16-15-8)14-12(18)7-17-5-6-21(19,20)11(4)10(17)3/h10-11H,5-7H2,1-4H3,(H,14,18)(H,15,16)
InChIKeyARVMZPBBBBDZME-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.47
Rot. Bonds3

About 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 127335976) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID127335976
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCS(=O)(=O)C(C)C1C
InChIInChI=1S/C13H22N4O3S/c1-8-13(9(2)16-15-8)14-12(18)7-17-5-6-21(19,20)11(4)10(17)3/h10-11H,5-7H2,1-4H3,(H,14,18)(H,15,16)
InChIKeyARVMZPBBBBDZME-UHFFFAOYSA-N
XLogP0.47
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 127335976) is 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)CN1CCS(=O)(=O)C(C)C1C.
What is the InChIKey of 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is ARVMZPBBBBDZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-8-13(9(2)16-15-8)14-12(18)7-17-5-6-21(19,20)11(4)10(17)3/h10-11H,5-7H2,1-4H3,(H,14,18)(H,15,16).
What are the key properties of 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 127335976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).