(3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine

C11H20N4O2S — CID 104974999

IUPAC(3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN[C@H](C)C2)nc1C
InChIInChI=1S/C11H20N4O2S/c1-4-14-8-11(13-10(14)3)18(16,17)15-6-5-12-9(2)7-15/h8-9,12H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyXVIUVPPBDAEJBB-SECBINFHSA-N
MW272.37 g/mol
LogP0.19
Rot. Bonds3

About (3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine

(3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine (PubChem CID 104974999) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is (3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine
PubChem CID104974999
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name(3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN[C@H](C)C2)nc1C
InChIInChI=1S/C11H20N4O2S/c1-4-14-8-11(13-10(14)3)18(16,17)15-6-5-12-9(2)7-15/h8-9,12H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyXVIUVPPBDAEJBB-SECBINFHSA-N
XLogP0.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine
CID 63873088
(3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79409931
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 62064992
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62066251
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041861
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanone
CID 63846427
2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 62357127
2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 100627977
2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine
CID 64979807
2-(3-methylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 120875195
2-(bromomethyl)-4-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-6-methylmorpholine
CID 102938081
methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate
CID 115536263

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine?
The IUPAC name of (3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine (CID 104974999) is (3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine?
The canonical SMILES for (3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine is CCn1cc(S(=O)(=O)N2CCN[C@H](C)C2)nc1C.
What is the InChIKey of (3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine?
The InChIKey is XVIUVPPBDAEJBB-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-14-8-11(13-10(14)3)18(16,17)15-6-5-12-9(2)7-15/h8-9,12H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine?
(3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine has a molecular weight of 272.37 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine is sourced from PubChem (CID 104974999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).