(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine

C11H15N3O4S — CID 82755992

IUPAC(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O4S/c1-9-8-12-6-7-13(9)19(17,18)11-4-2-10(3-5-11)14(15)16/h2-5,9,12H,6-8H2,1H3/t9-/m1/s1
InChIKeySBUKJPQWXRSAOW-SECBINFHSA-N
MW285.32 g/mol
LogP0.58
Rot. Bonds3

About (2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine

(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine (PubChem CID 82755992) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is (2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine
PubChem CID82755992
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O4S/c1-9-8-12-6-7-13(9)19(17,18)11-4-2-10(3-5-11)14(15)16/h2-5,9,12H,6-8H2,1H3/t9-/m1/s1
InChIKeySBUKJPQWXRSAOW-SECBINFHSA-N
XLogP0.58
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 62672435
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
(2S)-2-methyl-1-[(4-nitrophenyl)methylsulfonyl]piperazine;hydrochloride
CID 120717167
(2S)-1-(2-methoxy-5-nitrophenyl)sulfonyl-2-methylpiperazine
CID 82744915
(2R)-1-(2-methoxy-4-nitrophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717030
2-methyl-1-[4-nitro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 119969918
(2S)-2-methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 779289
1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119970134
1-(3-fluoro-4-methyl-5-nitrophenyl)sulfonyl-2-methylpiperazine
CID 120708067
2-benzyl-1-(4-nitrophenyl)sulfonylpiperazine
CID 74955238

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine?
The IUPAC name of (2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine (CID 82755992) is (2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine.
What is the SMILES notation for (2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine?
The canonical SMILES for (2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine is C[C@@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine?
The InChIKey is SBUKJPQWXRSAOW-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-9-8-12-6-7-13(9)19(17,18)11-4-2-10(3-5-11)14(15)16/h2-5,9,12H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine?
(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine has a molecular weight of 285.32 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine is sourced from PubChem (CID 82755992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).