3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride

C16H23ClN4O2S — CID 120779609

IUPAC3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CCC1N.Cl
InChIInChI=1S/C16H22N4O2S.ClH/c1-16(2)12-19(9-8-15(16)17)23(21,22)14-10-18-20(11-14)13-6-4-3-5-7-13;/h3-7,10-11,15H,8-9,12,17H2,1-2H3;1H
InChIKeyYYPKNNZKOKZYFK-UHFFFAOYSA-N
MW370.91 g/mol
LogP2.04
Rot. Bonds3

About 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride

3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 120779609) has the molecular formula C16H23ClN4O2S and a molecular weight of 370.91 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID120779609
Molecular FormulaC16H23ClN4O2S
Molecular Weight370.91 g/mol
Exact Mass370.12
IUPAC Name3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CCC1N.Cl
InChIInChI=1S/C16H22N4O2S.ClH/c1-16(2)12-19(9-8-15(16)17)23(21,22)14-10-18-20(11-14)13-6-4-3-5-7-13;/h3-7,10-11,15H,8-9,12,17H2,1-2H3;1H
InChIKeyYYPKNNZKOKZYFK-UHFFFAOYSA-N
XLogP2.04
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride 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 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride (CID 120779609) is 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride is CC1(C)CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CCC1N.Cl.
What is the InChIKey of 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is YYPKNNZKOKZYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.ClH/c1-16(2)12-19(9-8-15(16)17)23(21,22)14-10-18-20(11-14)13-6-4-3-5-7-13;/h3-7,10-11,15H,8-9,12,17H2,1-2H3;1H.
What are the key properties of 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 370.91 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120779609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).