(2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine

C8H14N4O2S — CID 82755279

IUPAC(2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H14N4O2S/c1-7-4-9-2-3-12(7)15(13,14)8-5-10-6-11-8/h5-7,9H,2-4H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyDKKVMZVIMJRDFA-SSDOTTSWSA-N
MW230.29 g/mol
LogP-0.61
Rot. Bonds2

About (2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine

(2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine (PubChem CID 82755279) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is (2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine
PubChem CID82755279
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name(2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H14N4O2S/c1-7-4-9-2-3-12(7)15(13,14)8-5-10-6-11-8/h5-7,9H,2-4H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyDKKVMZVIMJRDFA-SSDOTTSWSA-N
XLogP-0.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine
CID 6619456
1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride
CID 71778822
(2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine
CID 82755664
(2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine
CID 82755884
1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969883
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
N'-hydroxy-1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-2-carboximidamide
CID 77036319
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
(2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 82756064
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperazine
CID 104710234

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine?
The IUPAC name of (2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine (CID 82755279) is (2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine?
The canonical SMILES for (2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine is C[C@@H]1CNCCN1S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of (2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine?
The InChIKey is DKKVMZVIMJRDFA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-7-4-9-2-3-12(7)15(13,14)8-5-10-6-11-8/h5-7,9H,2-4H2,1H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine?
(2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine has a molecular weight of 230.29 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine is sourced from PubChem (CID 82755279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).