1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine

C15H26N4O2S — CID 71788620

IUPAC1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine
SMILESO=S(=O)(C1CCCCC1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C15H26N4O2S/c20-22(21,15-4-2-1-3-5-15)19-12-10-17(11-13-19)8-9-18-7-6-16-14-18/h6-7,14-15H,1-5,8-13H2
InChIKeyYUCPFTNOJYESDO-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.16
Rot. Bonds5

About 1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine

1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine (PubChem CID 71788620) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine
PubChem CID71788620
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine
SMILESO=S(=O)(C1CCCCC1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C15H26N4O2S/c20-22(21,15-4-2-1-3-5-15)19-12-10-17(11-13-19)8-9-18-7-6-16-14-18/h6-7,14-15H,1-5,8-13H2
InChIKeyYUCPFTNOJYESDO-UHFFFAOYSA-N
XLogP1.16
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(3-Butylimidazol-1-ium-1-yl)propane-1-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The IUPAC name of 1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine (CID 71788620) is 1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The canonical SMILES for 1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine is O=S(=O)(C1CCCCC1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of 1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The InChIKey is YUCPFTNOJYESDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c20-22(21,15-4-2-1-3-5-15)19-12-10-17(11-13-19)8-9-18-7-6-16-14-18/h6-7,14-15H,1-5,8-13H2.
What are the key properties of 1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine has a molecular weight of 326.47 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine is sourced from PubChem (CID 71788620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).