6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane

C13H25N3O2S — CID 144954917

IUPAC6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane
SMILESCC.Cc1[nH]nc2c1CCN(S(=O)(=O)C(C)(C)C)C2
InChIInChI=1S/C11H19N3O2S.C2H6/c1-8-9-5-6-14(7-10(9)13-12-8)17(15,16)11(2,3)4;1-2/h5-7H2,1-4H3,(H,12,13);1-2H3
InChIKeyOMRBOISUEBQHRC-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.23
Rot. Bonds1

About 6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane

6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane (PubChem CID 144954917) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane.

Molecular Properties

Compound Name6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane
PubChem CID144954917
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane
SMILESCC.Cc1[nH]nc2c1CCN(S(=O)(=O)C(C)(C)C)C2
InChIInChI=1S/C11H19N3O2S.C2H6/c1-8-9-5-6-14(7-10(9)13-12-8)17(15,16)11(2,3)4;1-2/h5-7H2,1-4H3,(H,12,13);1-2H3
InChIKeyOMRBOISUEBQHRC-UHFFFAOYSA-N
XLogP2.23
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane?
The IUPAC name of 6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane (CID 144954917) is 6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane.
What is the SMILES notation for 6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane?
The canonical SMILES for 6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane is CC.Cc1[nH]nc2c1CCN(S(=O)(=O)C(C)(C)C)C2.
What is the InChIKey of 6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane?
The InChIKey is OMRBOISUEBQHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S.C2H6/c1-8-9-5-6-14(7-10(9)13-12-8)17(15,16)11(2,3)4;1-2/h5-7H2,1-4H3,(H,12,13);1-2H3.
What are the key properties of 6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane?
6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane has a molecular weight of 287.43 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine;ethane is sourced from PubChem (CID 144954917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).