(2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine

C17H24N4O4S — CID 129338185

IUPAC(2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine
SMILESCOCCOc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cc1
InChIInChI=1S/C17H24N4O4S/c1-20-9-10-21(13-16(20)17-18-7-8-19-17)26(22,23)15-5-3-14(4-6-15)25-12-11-24-2/h3-8,16H,9-13H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyUBOSURCHOUBRCZ-MRXNPFEDSA-N
MW380.47 g/mol
LogP1.11
Rot. Bonds7

About (2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine

(2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine (PubChem CID 129338185) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is (2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine.

Molecular Properties

Compound Name(2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine
PubChem CID129338185
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name(2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine
SMILESCOCCOc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cc1
InChIInChI=1S/C17H24N4O4S/c1-20-9-10-21(13-16(20)17-18-7-8-19-17)26(22,23)15-5-3-14(4-6-15)25-12-11-24-2/h3-8,16H,9-13H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyUBOSURCHOUBRCZ-MRXNPFEDSA-N
XLogP1.11
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 129337331
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine
CID 129339222
(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol
CID 66291408
4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 128996748
(2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129329607
4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 128993133
(2S)-4-(1,2-dimethylimidazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129333291
4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129001116
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 129333818
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
(2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129334154
(2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129330663

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine?
The IUPAC name of (2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine (CID 129338185) is (2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine.
What is the SMILES notation for (2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine?
The canonical SMILES for (2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine is COCCOc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cc1.
What is the InChIKey of (2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine?
The InChIKey is UBOSURCHOUBRCZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-20-9-10-21(13-16(20)17-18-7-8-19-17)26(22,23)15-5-3-14(4-6-15)25-12-11-24-2/h3-8,16H,9-13H2,1-2H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine?
(2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine has a molecular weight of 380.47 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine is sourced from PubChem (CID 129338185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).