(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine

C13H18N4O2S2 — CID 129338621

IUPAC(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)s1
InChIInChI=1S/C13H18N4O2S2/c1-10-3-4-12(20-10)21(18,19)17-8-7-16(2)11(9-17)13-14-5-6-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyURJANQUGGPYUGC-LLVKDONJSA-N
MW326.45 g/mol
LogP1.46
Rot. Bonds3

About (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine

(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine (PubChem CID 129338621) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
PubChem CID129338621
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)s1
InChIInChI=1S/C13H18N4O2S2/c1-10-3-4-12(20-10)21(18,19)17-8-7-16(2)11(9-17)13-14-5-6-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyURJANQUGGPYUGC-LLVKDONJSA-N
XLogP1.46
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129001116
(2S)-4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129329058
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
CID 129334414
(2S)-4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129330517
(2S)-4-(1,2-dimethylimidazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129333291
4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 128996748
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
(2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129330663
(2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine
CID 129338185
(2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129334154
4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129000338

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The IUPAC name of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine (CID 129338621) is (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)s1.
What is the InChIKey of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The InChIKey is URJANQUGGPYUGC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-10-3-4-12(20-10)21(18,19)17-8-7-16(2)11(9-17)13-14-5-6-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine has a molecular weight of 326.45 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 129338621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).