(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine

C12H16N4O2S2 — CID 129334414

IUPAC(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cccs2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C12H16N4O2S2/c1-15-6-7-16(9-10(15)12-13-4-5-14-12)20(17,18)11-3-2-8-19-11/h2-5,8,10H,6-7,9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyNPRSZCNBWLXPKT-SNVBAGLBSA-N
MW312.42 g/mol
LogP1.15
Rot. Bonds3

About (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine

(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 129334414) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID129334414
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cccs2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C12H16N4O2S2/c1-15-6-7-16(9-10(15)12-13-4-5-14-12)20(17,18)11-3-2-8-19-11/h2-5,8,10H,6-7,9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyNPRSZCNBWLXPKT-SNVBAGLBSA-N
XLogP1.15
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 129338621
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
(2S)-4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129330517
4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 128996748
(2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine
CID 129338185
4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129000338
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine
CID 129339222
(2R)-4-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129331137
(2S)-4-(1,2-dimethylimidazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129333291
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 129333818
5-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 129337331

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine (CID 129334414) is (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine is CN1CCN(S(=O)(=O)c2cccs2)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is NPRSZCNBWLXPKT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-15-6-7-16(9-10(15)12-13-4-5-14-12)20(17,18)11-3-2-8-19-11/h2-5,8,10H,6-7,9H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine?
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 312.42 g/mol, XLogP of 1.15, 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-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 129334414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).