2-[2-(bromomethyl)pentylsulfonyl]thiophene

C10H15BrO2S2 — CID 65014082

IUPAC2-[2-(bromomethyl)pentylsulfonyl]thiophene
SMILESCCCC(CBr)CS(=O)(=O)c1cccs1
InChIInChI=1S/C10H15BrO2S2/c1-2-4-9(7-11)8-15(12,13)10-5-3-6-14-10/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyXRHJTBNDWPFWQN-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.33
Rot. Bonds6

About 2-[2-(bromomethyl)pentylsulfonyl]thiophene

2-[2-(bromomethyl)pentylsulfonyl]thiophene (PubChem CID 65014082) has the molecular formula C10H15BrO2S2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-[2-(bromomethyl)pentylsulfonyl]thiophene.

Molecular Properties

Compound Name2-[2-(bromomethyl)pentylsulfonyl]thiophene
PubChem CID65014082
Molecular FormulaC10H15BrO2S2
Molecular Weight311.27 g/mol
Exact Mass309.97
IUPAC Name2-[2-(bromomethyl)pentylsulfonyl]thiophene
SMILESCCCC(CBr)CS(=O)(=O)c1cccs1
InChIInChI=1S/C10H15BrO2S2/c1-2-4-9(7-11)8-15(12,13)10-5-3-6-14-10/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyXRHJTBNDWPFWQN-UHFFFAOYSA-N
XLogP3.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[2-(bromomethyl)pentylsulfonyl]benzene
CID 65014192
1-bromo-4-[2-(bromomethyl)pentylsulfonyl]benzene
CID 65014193
3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine
CID 64646199
1-[2-(bromomethyl)pentylsulfonyl]-2-(trifluoromethyl)benzene
CID 106584563
1-[2-(bromomethyl)pentylsulfonyl]-2-nitrobenzene
CID 65013335
2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine
CID 64697179
N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645998
5-thiophen-2-ylsulfonylpentan-2-amine
CID 64644611
1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64647191
2-butylsulfonylthionine
CID 174380591
tetrabutylazanium;thiophene-2-sulfonate
CID 141065948
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645393

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)pentylsulfonyl]thiophene?
The IUPAC name of 2-[2-(bromomethyl)pentylsulfonyl]thiophene (CID 65014082) is 2-[2-(bromomethyl)pentylsulfonyl]thiophene.
What is the SMILES notation for 2-[2-(bromomethyl)pentylsulfonyl]thiophene?
The canonical SMILES for 2-[2-(bromomethyl)pentylsulfonyl]thiophene is CCCC(CBr)CS(=O)(=O)c1cccs1.
What is the InChIKey of 2-[2-(bromomethyl)pentylsulfonyl]thiophene?
The InChIKey is XRHJTBNDWPFWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2S2/c1-2-4-9(7-11)8-15(12,13)10-5-3-6-14-10/h3,5-6,9H,2,4,7-8H2,1H3.
What are the key properties of 2-[2-(bromomethyl)pentylsulfonyl]thiophene?
2-[2-(bromomethyl)pentylsulfonyl]thiophene has a molecular weight of 311.27 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)pentylsulfonyl]thiophene is sourced from PubChem (CID 65014082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).