4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide

C14H20N4O2S — CID 70728801

IUPAC4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCc1cc(N2CCS(=O)(=O)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C14H20N4O2S/c1-4-12-9-13(17-5-7-21(19,20)8-6-17)18-14(15-12)10(2)11(3)16-18/h9H,4-8H2,1-3H3
InChIKeyQOKLZLSXHFANDP-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.14
Rot. Bonds2

About 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide

4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 70728801) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID70728801
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCc1cc(N2CCS(=O)(=O)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C14H20N4O2S/c1-4-12-9-13(17-5-7-21(19,20)8-6-17)18-14(15-12)10(2)11(3)16-18/h9H,4-8H2,1-3H3
InChIKeyQOKLZLSXHFANDP-UHFFFAOYSA-N
XLogP1.14
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide (CID 70728801) is 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide is CCc1cc(N2CCS(=O)(=O)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is QOKLZLSXHFANDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-12-9-13(17-5-7-21(19,20)8-6-17)18-14(15-12)10(2)11(3)16-18/h9H,4-8H2,1-3H3.
What are the key properties of 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide?
4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 308.41 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 70728801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).