(2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine

C16H23N5O3S — CID 129333564

IUPAC(2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CC)[C@@H](c3ncc[nH]3)C2)cn1
InChIInChI=1S/C16H23N5O3S/c1-3-20-9-10-21(12-14(20)16-17-7-8-18-16)25(22,23)13-5-6-15(19-11-13)24-4-2/h5-8,11,14H,3-4,9-10,12H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyMNGWSRJEZDYUCT-CQSZACIVSA-N
MW365.46 g/mol
LogP1.27
Rot. Bonds6

About (2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine

(2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine (PubChem CID 129333564) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is (2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine.

Molecular Properties

Compound Name(2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine
PubChem CID129333564
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name(2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CC)[C@@H](c3ncc[nH]3)C2)cn1
InChIInChI=1S/C16H23N5O3S/c1-3-20-9-10-21(12-14(20)16-17-7-8-18-16)25(22,23)13-5-6-15(19-11-13)24-4-2/h5-8,11,14H,3-4,9-10,12H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyMNGWSRJEZDYUCT-CQSZACIVSA-N
XLogP1.27
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine?
The IUPAC name of (2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine (CID 129333564) is (2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine.
What is the SMILES notation for (2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine?
The canonical SMILES for (2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine is CCOc1ccc(S(=O)(=O)N2CCN(CC)[C@@H](c3ncc[nH]3)C2)cn1.
What is the InChIKey of (2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine?
The InChIKey is MNGWSRJEZDYUCT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-3-20-9-10-21(12-14(20)16-17-7-8-18-16)25(22,23)13-5-6-15(19-11-13)24-4-2/h5-8,11,14H,3-4,9-10,12H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine?
(2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine has a molecular weight of 365.46 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine is sourced from PubChem (CID 129333564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).