4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine

C12H20N4O3S — CID 71873060

IUPAC4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCCC1Cn1ccnc1
InChIInChI=1S/C12H20N4O3S/c17-20(18,15-6-8-19-9-7-15)16-4-1-2-12(16)10-14-5-3-13-11-14/h3,5,11-12H,1-2,4,6-10H2
InChIKeyZLNKQESJRBZJLK-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.08
Rot. Bonds4

About 4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine

4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine (PubChem CID 71873060) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine
PubChem CID71873060
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCCC1Cn1ccnc1
InChIInChI=1S/C12H20N4O3S/c17-20(18,15-6-8-19-9-7-15)16-4-1-2-12(16)10-14-5-3-13-11-14/h3,5,11-12H,1-2,4,6-10H2
InChIKeyZLNKQESJRBZJLK-UHFFFAOYSA-N
XLogP-0.08
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine (CID 71873060) is 4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCCC1Cn1ccnc1.
What is the InChIKey of 4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine?
The InChIKey is ZLNKQESJRBZJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c17-20(18,15-6-8-19-9-7-15)16-4-1-2-12(16)10-14-5-3-13-11-14/h3,5,11-12H,1-2,4,6-10H2.
What are the key properties of 4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine?
4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine has a molecular weight of 300.38 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 71873060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).