1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine

C14H24N4O2S — CID 79369669

IUPAC1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C3CCCN3)C2)c1
InChIInChI=1S/C14H24N4O2S/c1-2-17-10-14(16-11-17)21(19,20)18-8-4-5-12(9-18)13-6-3-7-15-13/h10-13,15H,2-9H2,1H3
InChIKeyDVUBKGVYUBYYTG-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.06
Rot. Bonds4

About 1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine

1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine (PubChem CID 79369669) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine
PubChem CID79369669
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C3CCCN3)C2)c1
InChIInChI=1S/C14H24N4O2S/c1-2-17-10-14(16-11-17)21(19,20)18-8-4-5-12(9-18)13-6-3-7-15-13/h10-13,15H,2-9H2,1H3
InChIKeyDVUBKGVYUBYYTG-UHFFFAOYSA-N
XLogP1.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine (CID 79369669) is 1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine is CCn1cnc(S(=O)(=O)N2CCCC(C3CCCN3)C2)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine?
The InChIKey is DVUBKGVYUBYYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-2-17-10-14(16-11-17)21(19,20)18-8-4-5-12(9-18)13-6-3-7-15-13/h10-13,15H,2-9H2,1H3.
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine?
1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine has a molecular weight of 312.44 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 79369669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).