1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine

C15H28N4O2S — CID 56802168

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
SMILESCCn1ccnc1CN1CCN(CCCS(C)(=O)=O)CC1C
InChIInChI=1S/C15H28N4O2S/c1-4-18-8-6-16-15(18)13-19-10-9-17(12-14(19)2)7-5-11-22(3,20)21/h6,8,14H,4-5,7,9-13H2,1-3H3
InChIKeyGHXGJTXMLXKOIK-UHFFFAOYSA-N
MW328.48 g/mol
LogP0.84
Rot. Bonds7

About 1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine

1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine (PubChem CID 56802168) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
PubChem CID56802168
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
SMILESCCn1ccnc1CN1CCN(CCCS(C)(=O)=O)CC1C
InChIInChI=1S/C15H28N4O2S/c1-4-18-8-6-16-15(18)13-19-10-9-17(12-14(19)2)7-5-11-22(3,20)21/h6,8,14H,4-5,7,9-13H2,1-3H3
InChIKeyGHXGJTXMLXKOIK-UHFFFAOYSA-N
XLogP0.84
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine 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 1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine (CID 56802168) is 1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine is CCn1ccnc1CN1CCN(CCCS(C)(=O)=O)CC1C.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine?
The InChIKey is GHXGJTXMLXKOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-4-18-8-6-16-15(18)13-19-10-9-17(12-14(19)2)7-5-11-22(3,20)21/h6,8,14H,4-5,7,9-13H2,1-3H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine?
1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine has a molecular weight of 328.48 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 56802168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).