4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine

C11H16N6O3S — CID 60917314

IUPAC4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine
SMILESCc1nc(C2(N)CCN(S(=O)(=O)c3cn[nH]c3)CC2)no1
InChIInChI=1S/C11H16N6O3S/c1-8-15-10(16-20-8)11(12)2-4-17(5-3-11)21(18,19)9-6-13-14-7-9/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyCWNZMYAMROJGBM-UHFFFAOYSA-N
MW312.36 g/mol
LogP-0.26
Rot. Bonds3

About 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine

4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine (PubChem CID 60917314) has the molecular formula C11H16N6O3S and a molecular weight of 312.36 g/mol. Its IUPAC name is 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine
PubChem CID60917314
Molecular FormulaC11H16N6O3S
Molecular Weight312.36 g/mol
Exact Mass312.10
IUPAC Name4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine
SMILESCc1nc(C2(N)CCN(S(=O)(=O)c3cn[nH]c3)CC2)no1
InChIInChI=1S/C11H16N6O3S/c1-8-15-10(16-20-8)11(12)2-4-17(5-3-11)21(18,19)9-6-13-14-7-9/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyCWNZMYAMROJGBM-UHFFFAOYSA-N
XLogP-0.26
TPSA131.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine?
The IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine (CID 60917314) is 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine is Cc1nc(C2(N)CCN(S(=O)(=O)c3cn[nH]c3)CC2)no1.
What is the InChIKey of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine?
The InChIKey is CWNZMYAMROJGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S/c1-8-15-10(16-20-8)11(12)2-4-17(5-3-11)21(18,19)9-6-13-14-7-9/h6-7H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine?
4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine has a molecular weight of 312.36 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 60917314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).