(2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine

C15H26N4O3S — CID 129340949

IUPAC(2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine
SMILESCCN1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C15H26N4O3S/c1-2-18-7-8-19(11-14(18)15-16-5-6-17-15)23(20,21)12-13-3-9-22-10-4-13/h5-6,13-14H,2-4,7-12H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyYDFGPDCGSFZUEZ-AWEZNQCLSA-N
MW342.47 g/mol
LogP0.84
Rot. Bonds5

About (2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine

(2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine (PubChem CID 129340949) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is (2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine.

Molecular Properties

Compound Name(2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine
PubChem CID129340949
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name(2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine
SMILESCCN1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C15H26N4O3S/c1-2-18-7-8-19(11-14(18)15-16-5-6-17-15)23(20,21)12-13-3-9-22-10-4-13/h5-6,13-14H,2-4,7-12H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyYDFGPDCGSFZUEZ-AWEZNQCLSA-N
XLogP0.84
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129334154
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine
CID 129328989
5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 129332574
(2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine
CID 129333564
6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one
CID 129336647
5-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 129329285
3-ethyl-5-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 129335470
[(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 129338372
2-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-6-fluorobenzonitrile
CID 129334015
(2S)-1-ethyl-4-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-2-(1H-imidazol-2-yl)piperazine
CID 129341120
2-chloro-5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 128997381
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine?
The IUPAC name of (2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine (CID 129340949) is (2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine.
What is the SMILES notation for (2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine?
The canonical SMILES for (2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine is CCN1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1c1ncc[nH]1.
What is the InChIKey of (2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine?
The InChIKey is YDFGPDCGSFZUEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-2-18-7-8-19(11-14(18)15-16-5-6-17-15)23(20,21)12-13-3-9-22-10-4-13/h5-6,13-14H,2-4,7-12H2,1H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine?
(2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine has a molecular weight of 342.47 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine is sourced from PubChem (CID 129340949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).