1-iodo-4-(2-methylsulfonylethyl)piperazine

C7H15IN2O2S — CID 144963029

IUPAC1-iodo-4-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(I)CC1
InChIInChI=1S/C7H15IN2O2S/c1-13(11,12)7-6-9-2-4-10(8)5-3-9/h2-7H2,1H3
InChIKeyQGJYACLOTXOJLY-UHFFFAOYSA-N
MW318.18 g/mol
LogP-0.00
Rot. Bonds3

About 1-iodo-4-(2-methylsulfonylethyl)piperazine

1-iodo-4-(2-methylsulfonylethyl)piperazine (PubChem CID 144963029) has the molecular formula C7H15IN2O2S and a molecular weight of 318.18 g/mol. Its IUPAC name is 1-iodo-4-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-iodo-4-(2-methylsulfonylethyl)piperazine
PubChem CID144963029
Molecular FormulaC7H15IN2O2S
Molecular Weight318.18 g/mol
Exact Mass317.99
IUPAC Name1-iodo-4-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(I)CC1
InChIInChI=1S/C7H15IN2O2S/c1-13(11,12)7-6-9-2-4-10(8)5-3-9/h2-7H2,1H3
InChIKeyQGJYACLOTXOJLY-UHFFFAOYSA-N
XLogP-0.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-one;2-[4-(2-methylsulfonylethyl)piperazin-1-yl]ethanol
CID 91163001
1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine
CID 75507205
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanone
CID 63846320
2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine
CID 63190603
tert-butyl 4-(2-methylsulfonylethyl)piperazine-1-carboxylate
CID 66649624
2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pentanethioamide
CID 55202758
3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine
CID 126539787
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
2-(2-methylsulfonylethyl)-3,4-dihydro-1H-isoquinoline
CID 141217654
1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 167780338

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 1-iodo-4-(2-methylsulfonylethyl)piperazine (CID 144963029) is 1-iodo-4-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 1-iodo-4-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 1-iodo-4-(2-methylsulfonylethyl)piperazine is CS(=O)(=O)CCN1CCN(I)CC1.
What is the InChIKey of 1-iodo-4-(2-methylsulfonylethyl)piperazine?
The InChIKey is QGJYACLOTXOJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IN2O2S/c1-13(11,12)7-6-9-2-4-10(8)5-3-9/h2-7H2,1H3.
What are the key properties of 1-iodo-4-(2-methylsulfonylethyl)piperazine?
1-iodo-4-(2-methylsulfonylethyl)piperazine has a molecular weight of 318.18 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 144963029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).