1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine

C15H26N4O2S — CID 70723721

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine
SMILESCn1cnc(S(=O)(=O)N2CCCCC2CCN2CCCC2)c1
InChIInChI=1S/C15H26N4O2S/c1-17-12-15(16-13-17)22(20,21)19-10-3-2-6-14(19)7-11-18-8-4-5-9-18/h12-14H,2-11H2,1H3
InChIKeyMYIDQHPMYXMFFN-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.45
Rot. Bonds5

About 1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine

1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine (PubChem CID 70723721) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine
PubChem CID70723721
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine
SMILESCn1cnc(S(=O)(=O)N2CCCCC2CCN2CCCC2)c1
InChIInChI=1S/C15H26N4O2S/c1-17-12-15(16-13-17)22(20,21)19-10-3-2-6-14(19)7-11-18-8-4-5-9-18/h12-14H,2-11H2,1H3
InChIKeyMYIDQHPMYXMFFN-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine (CID 70723721) is 1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine is Cn1cnc(S(=O)(=O)N2CCCCC2CCN2CCCC2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine?
The InChIKey is MYIDQHPMYXMFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-17-12-15(16-13-17)22(20,21)19-10-3-2-6-14(19)7-11-18-8-4-5-9-18/h12-14H,2-11H2,1H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine?
1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine has a molecular weight of 326.47 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-2-(2-pyrrolidin-1-ylethyl)piperidine is sourced from PubChem (CID 70723721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).