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

C8H13BrN2O2S2 — CID 105299404

IUPAC[1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine
SMILESCS(=O)(=O)CC(Cc1cc(Br)cs1)NN
InChIInChI=1S/C8H13BrN2O2S2/c1-15(12,13)5-7(11-10)3-8-2-6(9)4-14-8/h2,4,7,11H,3,5,10H2,1H3
InChIKeyVHPZCEYYIPXBFJ-UHFFFAOYSA-N
MW313.24 g/mol
LogP0.93
Rot. Bonds5

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

[1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine (PubChem CID 105299404) has the molecular formula C8H13BrN2O2S2 and a molecular weight of 313.24 g/mol. Its IUPAC name is [1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine
PubChem CID105299404
Molecular FormulaC8H13BrN2O2S2
Molecular Weight313.24 g/mol
Exact Mass311.96
IUPAC Name[1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine
SMILESCS(=O)(=O)CC(Cc1cc(Br)cs1)NN
InChIInChI=1S/C8H13BrN2O2S2/c1-15(12,13)5-7(11-10)3-8-2-6(9)4-14-8/h2,4,7,11H,3,5,10H2,1H3
InChIKeyVHPZCEYYIPXBFJ-UHFFFAOYSA-N
XLogP0.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
[1-(4-bromothiophen-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105214014
[1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225472
[1-(4-bromothiophen-2-yl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105299395
[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105324883
[1-(4-bromothiophen-2-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105299335
[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197753
[1-(2-bromo-4-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105296748
[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259686
[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105290340
[2-(4-bromothiophen-2-yl)-1-cyclopentylethyl]hydrazine
CID 105204458
2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-amine
CID 62504678

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine (CID 105299404) is [1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine is CS(=O)(=O)CC(Cc1cc(Br)cs1)NN.
What is the InChIKey of [1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine?
The InChIKey is VHPZCEYYIPXBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2S2/c1-15(12,13)5-7(11-10)3-8-2-6(9)4-14-8/h2,4,7,11H,3,5,10H2,1H3.
What are the key properties of [1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine?
[1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine has a molecular weight of 313.24 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine is sourced from PubChem (CID 105299404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).