4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine

C12H22N4O2S — CID 105358968

IUPAC4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCCC(C)(C)C2)c(N)nn1C
InChIInChI=1S/C12H22N4O2S/c1-9-10(11(13)14-15(9)4)19(17,18)16-7-5-6-12(2,3)8-16/h5-8H2,1-4H3,(H2,13,14)
InChIKeyYZHJYMPHIWVYLX-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.12
Rot. Bonds2

About 4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine

4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine (PubChem CID 105358968) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
PubChem CID105358968
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCCC(C)(C)C2)c(N)nn1C
InChIInChI=1S/C12H22N4O2S/c1-9-10(11(13)14-15(9)4)19(17,18)16-7-5-6-12(2,3)8-16/h5-8H2,1-4H3,(H2,13,14)
InChIKeyYZHJYMPHIWVYLX-UHFFFAOYSA-N
XLogP1.12
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine (CID 105358968) is 4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for 4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine is Cc1c(S(=O)(=O)N2CCCC(C)(C)C2)c(N)nn1C.
What is the InChIKey of 4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The InChIKey is YZHJYMPHIWVYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-10(11(13)14-15(9)4)19(17,18)16-7-5-6-12(2,3)8-16/h5-8H2,1-4H3,(H2,13,14).
What are the key properties of 4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine has a molecular weight of 286.40 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 105358968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).