4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

C15H21N5O2S — CID 70716725

IUPAC4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCn1ncc2c(N3CCS(=O)(=O)CC3)nc(C3CCCC3)nc21
InChIInChI=1S/C15H21N5O2S/c1-19-14-12(10-16-19)15(20-6-8-23(21,22)9-7-20)18-13(17-14)11-4-2-3-5-11/h10-11H,2-9H2,1H3
InChIKeyOLVCRQXEGAJZLM-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.26
Rot. Bonds2

About 4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 70716725) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID70716725
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCn1ncc2c(N3CCS(=O)(=O)CC3)nc(C3CCCC3)nc21
InChIInChI=1S/C15H21N5O2S/c1-19-14-12(10-16-19)15(20-6-8-23(21,22)9-7-20)18-13(17-14)11-4-2-3-5-11/h10-11H,2-9H2,1H3
InChIKeyOLVCRQXEGAJZLM-UHFFFAOYSA-N
XLogP1.26
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 70716725) is 4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is Cn1ncc2c(N3CCS(=O)(=O)CC3)nc(C3CCCC3)nc21.
What is the InChIKey of 4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is OLVCRQXEGAJZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-19-14-12(10-16-19)15(20-6-8-23(21,22)9-7-20)18-13(17-14)11-4-2-3-5-11/h10-11H,2-9H2,1H3.
What are the key properties of 4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 335.43 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 70716725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).