[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine

C9H15BrN2O2S2 — CID 114985173

IUPAC[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine
SMILESCc1cc(C(CCS(C)(=O)=O)NN)sc1Br
InChIInChI=1S/C9H15BrN2O2S2/c1-6-5-8(15-9(6)10)7(12-11)3-4-16(2,13)14/h5,7,12H,3-4,11H2,1-2H3
InChIKeyKHZCAUOAIQAUEC-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.76
Rot. Bonds5

About [1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine

[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine (PubChem CID 114985173) has the molecular formula C9H15BrN2O2S2 and a molecular weight of 327.27 g/mol. Its IUPAC name is [1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine
PubChem CID114985173
Molecular FormulaC9H15BrN2O2S2
Molecular Weight327.27 g/mol
Exact Mass325.98
IUPAC Name[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine
SMILESCc1cc(C(CCS(C)(=O)=O)NN)sc1Br
InChIInChI=1S/C9H15BrN2O2S2/c1-6-5-8(15-9(6)10)7(12-11)3-4-16(2,13)14/h5,7,12H,3-4,11H2,1-2H3
InChIKeyKHZCAUOAIQAUEC-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.76
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-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313942
[1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine
CID 105300069
1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine
CID 105294058
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine
CID 79992082
[1-(5-bromo-4-methylthiophen-2-yl)-2-phenylethyl]hydrazine
CID 105283168
1-(5-bromo-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 115865174
[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985081
2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene
CID 79991912
[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine
CID 114984828
[1-(5-bromo-4-methylthiophen-2-yl)-2-methylpropyl]hydrazine
CID 105281749
1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine
CID 79991964
[1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315837

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine (CID 114985173) is [1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine is Cc1cc(C(CCS(C)(=O)=O)NN)sc1Br.
What is the InChIKey of [1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine?
The InChIKey is KHZCAUOAIQAUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2S2/c1-6-5-8(15-9(6)10)7(12-11)3-4-16(2,13)14/h5,7,12H,3-4,11H2,1-2H3.
What are the key properties of [1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine?
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine has a molecular weight of 327.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 114985173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).