(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine

C11H15IN2O2S — CID 82755760

IUPAC(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
SMILESC[C@H]1CNCCN1S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C11H15IN2O2S/c1-9-8-13-6-7-14(9)17(15,16)11-4-2-10(12)3-5-11/h2-5,9,13H,6-8H2,1H3/t9-/m0/s1
InChIKeyFONWNPKAUDEDFH-VIFPVBQESA-N
MW366.22 g/mol
LogP1.27
Rot. Bonds2

About (2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine

(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine (PubChem CID 82755760) has the molecular formula C11H15IN2O2S and a molecular weight of 366.22 g/mol. Its IUPAC name is (2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
PubChem CID82755760
Molecular FormulaC11H15IN2O2S
Molecular Weight366.22 g/mol
Exact Mass365.99
IUPAC Name(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
SMILESC[C@H]1CNCCN1S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C11H15IN2O2S/c1-9-8-13-6-7-14(9)17(15,16)11-4-2-10(12)3-5-11/h2-5,9,13H,6-8H2,1H3/t9-/m0/s1
InChIKeyFONWNPKAUDEDFH-VIFPVBQESA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine
CID 82755992
(2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120717091
N-methyl-4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzamide
CID 82755291
N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119969796
2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine
CID 62672257
(2S)-1,4-bis[(4-iodophenyl)sulfonyl]-2-methylpiperazine
CID 92905831
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine?
The IUPAC name of (2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine (CID 82755760) is (2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for (2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine?
The canonical SMILES for (2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine is C[C@H]1CNCCN1S(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of (2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine?
The InChIKey is FONWNPKAUDEDFH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15IN2O2S/c1-9-8-13-6-7-14(9)17(15,16)11-4-2-10(12)3-5-11/h2-5,9,13H,6-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine?
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine has a molecular weight of 366.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 82755760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).