1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine

C15H21N5O2S — CID 126812465

IUPAC1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine
SMILESCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C
InChIInChI=1S/C15H21N5O2S/c1-13-16-17-15(18(13)2)19-8-10-20(11-9-19)23(21,22)12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3
InChIKeyJBRCAUMOQZSWGY-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.78
Rot. Bonds4

About 1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine

1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine (PubChem CID 126812465) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine
PubChem CID126812465
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine
SMILESCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C
InChIInChI=1S/C15H21N5O2S/c1-13-16-17-15(18(13)2)19-8-10-20(11-9-19)23(21,22)12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3
InChIKeyJBRCAUMOQZSWGY-UHFFFAOYSA-N
XLogP0.78
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine with MolForge

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

Launch Full Analysis

Related Compounds

4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
3-(4-benzylsulfonylpiperazin-1-yl)pyridazine
CID 121060992
4-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56922983
5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 20933008
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
1-benzhydryl-4-benzylsulfonylpiperazine
CID 19682697
2-(4-benzylsulfonylpiperazin-1-yl)ethanamine
CID 43252222
1-benzylsulfonyl-4-pyridin-1-ium-2-ylpiperazine
CID 7832228
1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 136523299
2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 71850455
1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208310
4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide
CID 133313373

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine?
The IUPAC name of 1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine (CID 126812465) is 1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine?
The canonical SMILES for 1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine is Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C.
What is the InChIKey of 1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine?
The InChIKey is JBRCAUMOQZSWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-13-16-17-15(18(13)2)19-8-10-20(11-9-19)23(21,22)12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3.
What are the key properties of 1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine?
1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine has a molecular weight of 335.43 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine is sourced from PubChem (CID 126812465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).