(2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine

C14H25N3O3S — CID 124890193

IUPAC(2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine
SMILESCCn1ccnc1[C@H]1CCCCN1S(=O)(=O)C[C@H](C)OC
InChIInChI=1S/C14H25N3O3S/c1-4-16-10-8-15-14(16)13-7-5-6-9-17(13)21(18,19)11-12(2)20-3/h8,10,12-13H,4-7,9,11H2,1-3H3/t12-,13+/m0/s1
InChIKeyOXCUVJGHNAOJTQ-QWHCGFSZSA-N
MW315.44 g/mol
LogP1.79
Rot. Bonds6

About (2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine

(2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine (PubChem CID 124890193) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine.

Molecular Properties

Compound Name(2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine
PubChem CID124890193
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name(2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine
SMILESCCn1ccnc1[C@H]1CCCCN1S(=O)(=O)C[C@H](C)OC
InChIInChI=1S/C14H25N3O3S/c1-4-16-10-8-15-14(16)13-7-5-6-9-17(13)21(18,19)11-12(2)20-3/h8,10,12-13H,4-7,9,11H2,1-3H3/t12-,13+/m0/s1
InChIKeyOXCUVJGHNAOJTQ-QWHCGFSZSA-N
XLogP1.79
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine?
The IUPAC name of (2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine (CID 124890193) is (2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine.
What is the SMILES notation for (2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine?
The canonical SMILES for (2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine is CCn1ccnc1[C@H]1CCCCN1S(=O)(=O)C[C@H](C)OC.
What is the InChIKey of (2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine?
The InChIKey is OXCUVJGHNAOJTQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-4-16-10-8-15-14(16)13-7-5-6-9-17(13)21(18,19)11-12(2)20-3/h8,10,12-13H,4-7,9,11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine?
(2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine has a molecular weight of 315.44 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine is sourced from PubChem (CID 124890193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).