(3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine

C14H25N3O3S — CID 124830392

IUPAC(3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine
SMILESCCc1nccn1[C@H]1CCCN(S(=O)(=O)C[C@H](C)OC)C1
InChIInChI=1S/C14H25N3O3S/c1-4-14-15-7-9-17(14)13-6-5-8-16(10-13)21(18,19)11-12(2)20-3/h7,9,12-13H,4-6,8,10-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyYZPZYJMXUXHTSM-STQMWFEESA-N
MW315.44 g/mol
LogP1.45
Rot. Bonds6

About (3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine

(3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine (PubChem CID 124830392) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is (3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine.

Molecular Properties

Compound Name(3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine
PubChem CID124830392
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name(3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine
SMILESCCc1nccn1[C@H]1CCCN(S(=O)(=O)C[C@H](C)OC)C1
InChIInChI=1S/C14H25N3O3S/c1-4-14-15-7-9-17(14)13-6-5-8-16(10-13)21(18,19)11-12(2)20-3/h7,9,12-13H,4-6,8,10-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyYZPZYJMXUXHTSM-STQMWFEESA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(2R)-2-cyanopropyl]-3-(2-ethylimidazol-1-yl)-N-methylpiperidine-1-sulfonamide
CID 124734712
5-tert-butyl-3-[[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 129344747
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
4-(2-ethylimidazol-1-yl)-1-methylazepane
CID 84734196
(3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine
CID 124628636
3-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503836
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
CID 95341954
(2S)-2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119881387
methyl (2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-thiophen-3-ylacetate
CID 124874553
N-cyclopropyl-2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(2-methylpropyl)acetamide
CID 126767722

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine?
The IUPAC name of (3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine (CID 124830392) is (3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine.
What is the SMILES notation for (3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine?
The canonical SMILES for (3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine is CCc1nccn1[C@H]1CCCN(S(=O)(=O)C[C@H](C)OC)C1.
What is the InChIKey of (3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine?
The InChIKey is YZPZYJMXUXHTSM-STQMWFEESA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-4-14-15-7-9-17(14)13-6-5-8-16(10-13)21(18,19)11-12(2)20-3/h7,9,12-13H,4-6,8,10-11H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine?
(3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine has a molecular weight of 315.44 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine is sourced from PubChem (CID 124830392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).