[1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine

C10H15IN2O2S — CID 105310388

IUPAC[1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
SMILESCS(=O)(=O)CC(Cc1ccc(I)cc1)NN
InChIInChI=1S/C10H15IN2O2S/c1-16(14,15)7-10(13-12)6-8-2-4-9(11)5-3-8/h2-5,10,13H,6-7,12H2,1H3
InChIKeyNBKIRQXEIKYEJS-UHFFFAOYSA-N
MW354.21 g/mol
LogP0.71
Rot. Bonds5

About [1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine

[1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine (PubChem CID 105310388) has the molecular formula C10H15IN2O2S and a molecular weight of 354.21 g/mol. Its IUPAC name is [1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
PubChem CID105310388
Molecular FormulaC10H15IN2O2S
Molecular Weight354.21 g/mol
Exact Mass353.99
IUPAC Name[1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
SMILESCS(=O)(=O)CC(Cc1ccc(I)cc1)NN
InChIInChI=1S/C10H15IN2O2S/c1-16(14,15)7-10(13-12)6-8-2-4-9(11)5-3-8/h2-5,10,13H,6-7,12H2,1H3
InChIKeyNBKIRQXEIKYEJS-UHFFFAOYSA-N
XLogP0.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine
CID 105317597
[1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105310766
[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105290340
[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine
CID 105205984
[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105324883
[1-(3,4-difluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105310411
[3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246005
[1-(2,6-dichlorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105209757
N-[1-(4-iodophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64631396
[1-(2-bromo-4-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105296748
[1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105299404
[1,1-difluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105265085

Frequently Asked Questions

What is the IUPAC name of [1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine?
The IUPAC name of [1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine (CID 105310388) is [1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine is CS(=O)(=O)CC(Cc1ccc(I)cc1)NN.
What is the InChIKey of [1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine?
The InChIKey is NBKIRQXEIKYEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2S/c1-16(14,15)7-10(13-12)6-8-2-4-9(11)5-3-8/h2-5,10,13H,6-7,12H2,1H3.
What are the key properties of [1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine?
[1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine has a molecular weight of 354.21 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine is sourced from PubChem (CID 105310388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).