1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine

C11H20N4O2S — CID 141339098

IUPAC1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine
SMILESCc1nccn1CCCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H20N4O2S/c1-11-13-5-7-14(11)6-2-10-18(16,17)15-8-3-12-4-9-15/h5,7,12H,2-4,6,8-10H2,1H3
InChIKeyYQECIYUSRGQZIY-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.18
Rot. Bonds5

About 1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine

1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine (PubChem CID 141339098) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine.

Molecular Properties

Compound Name1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine
PubChem CID141339098
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine
SMILESCc1nccn1CCCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H20N4O2S/c1-11-13-5-7-14(11)6-2-10-18(16,17)15-8-3-12-4-9-15/h5,7,12H,2-4,6,8-10H2,1H3
InChIKeyYQECIYUSRGQZIY-UHFFFAOYSA-N
XLogP-0.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine?
The IUPAC name of 1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine (CID 141339098) is 1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine.
What is the SMILES notation for 1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine?
The canonical SMILES for 1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine is Cc1nccn1CCCS(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine?
The InChIKey is YQECIYUSRGQZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-11-13-5-7-14(11)6-2-10-18(16,17)15-8-3-12-4-9-15/h5,7,12H,2-4,6,8-10H2,1H3.
What are the key properties of 1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine?
1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine has a molecular weight of 272.37 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine is sourced from PubChem (CID 141339098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).