1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine

C10H15BrN2O2S2 — CID 83084047

IUPAC1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESO=S(=O)(CBr)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C10H15BrN2O2S2/c11-9-17(14,15)13-5-3-12(4-6-13)8-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2
InChIKeyKUDIBEXDRGHIRH-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.55
Rot. Bonds4

About 1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine

1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 83084047) has the molecular formula C10H15BrN2O2S2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
PubChem CID83084047
Molecular FormulaC10H15BrN2O2S2
Molecular Weight339.28 g/mol
Exact Mass337.98
IUPAC Name1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESO=S(=O)(CBr)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C10H15BrN2O2S2/c11-9-17(14,15)13-5-3-12(4-6-13)8-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2
InChIKeyKUDIBEXDRGHIRH-UHFFFAOYSA-N
XLogP1.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethylsulfonyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 55245637
1-propylsulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 61383814
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
CID 30172890
1-(2-bromoethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 80667707
1-[(3,4-dichlorophenyl)methylsulfonyl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 56582044
1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
CID 17446186
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
1-(thiophen-2-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30990917
1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 60929020
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 30172844

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine (CID 83084047) is 1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine is O=S(=O)(CBr)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is KUDIBEXDRGHIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2/c11-9-17(14,15)13-5-3-12(4-6-13)8-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2.
What are the key properties of 1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine?
1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 339.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 83084047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).