6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C14H16N4O2S2 — CID 1480614

IUPAC6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc2c(-c3ccsc3)cnn2c1N
InChIInChI=1S/C14H16N4O2S2/c1-14(2,3)22(19,20)11-7-16-13-10(9-4-5-21-8-9)6-17-18(13)12(11)15/h4-8H,15H2,1-3H3
InChIKeyGDTOXWMNUZDSTB-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.61
Rot. Bonds2

About 6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1480614) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1480614
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC Name6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc2c(-c3ccsc3)cnn2c1N
InChIInChI=1S/C14H16N4O2S2/c1-14(2,3)22(19,20)11-7-16-13-10(9-4-5-21-8-9)6-17-18(13)12(11)15/h4-8H,15H2,1-3H3
InChIKeyGDTOXWMNUZDSTB-UHFFFAOYSA-N
XLogP2.61
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1480614) is 6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)S(=O)(=O)c1cnc2c(-c3ccsc3)cnn2c1N.
What is the InChIKey of 6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GDTOXWMNUZDSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-14(2,3)22(19,20)11-7-16-13-10(9-4-5-21-8-9)6-17-18(13)12(11)15/h4-8H,15H2,1-3H3.
What are the key properties of 6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 336.44 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1480614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).