4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine

C15H20N4O2S — CID 129000338

IUPAC4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)Cc2ccccc2)CC1c1ncc[nH]1
InChIInChI=1S/C15H20N4O2S/c1-18-9-10-19(11-14(18)15-16-7-8-17-15)22(20,21)12-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,16,17)
InChIKeyYAUBKHVOXYTDAE-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.23
Rot. Bonds4

About 4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine

4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine (PubChem CID 129000338) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine.

Molecular Properties

Compound Name4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
PubChem CID129000338
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)Cc2ccccc2)CC1c1ncc[nH]1
InChIInChI=1S/C15H20N4O2S/c1-18-9-10-19(11-14(18)15-16-7-8-17-15)22(20,21)12-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,16,17)
InChIKeyYAUBKHVOXYTDAE-UHFFFAOYSA-N
XLogP1.23
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The IUPAC name of 4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine (CID 129000338) is 4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine.
What is the SMILES notation for 4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The canonical SMILES for 4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine is CN1CCN(S(=O)(=O)Cc2ccccc2)CC1c1ncc[nH]1.
What is the InChIKey of 4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The InChIKey is YAUBKHVOXYTDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-18-9-10-19(11-14(18)15-16-7-8-17-15)22(20,21)12-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,16,17).
What are the key properties of 4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine has a molecular weight of 320.42 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine is sourced from PubChem (CID 129000338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).