1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine

C10H18N4O2S — CID 105357924

IUPAC1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCCCC2)c(N)nn1C
InChIInChI=1S/C10H18N4O2S/c1-8-9(10(11)12-13(8)2)17(15,16)14-6-4-3-5-7-14/h3-7H2,1-2H3,(H2,11,12)
InChIKeyBQIJGJHBAAEBBG-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.49
Rot. Bonds2

About 1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine

1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine (PubChem CID 105357924) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine
PubChem CID105357924
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCCCC2)c(N)nn1C
InChIInChI=1S/C10H18N4O2S/c1-8-9(10(11)12-13(8)2)17(15,16)14-6-4-3-5-7-14/h3-7H2,1-2H3,(H2,11,12)
InChIKeyBQIJGJHBAAEBBG-UHFFFAOYSA-N
XLogP0.49
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine (CID 105357924) is 1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine is Cc1c(S(=O)(=O)N2CCCCC2)c(N)nn1C.
What is the InChIKey of 1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine?
The InChIKey is BQIJGJHBAAEBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-8-9(10(11)12-13(8)2)17(15,16)14-6-4-3-5-7-14/h3-7H2,1-2H3,(H2,11,12).
What are the key properties of 1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine?
1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine has a molecular weight of 258.35 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine is sourced from PubChem (CID 105357924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).