2-amino-3-bromopropane-1-sulfonamide

C3H9BrN2O2S — CID 57161748

IUPAC2-amino-3-bromopropane-1-sulfonamide
SMILESNC(CBr)CS(N)(=O)=O
InChIInChI=1S/C3H9BrN2O2S/c4-1-3(5)2-9(6,7)8/h3H,1-2,5H2,(H2,6,7,8)
InChIKeyWBNYFSJPUUMXCT-UHFFFAOYSA-N
MW217.09 g/mol
LogP-1.00
Rot. Bonds3

About 2-amino-3-bromopropane-1-sulfonamide

2-amino-3-bromopropane-1-sulfonamide (PubChem CID 57161748) has the molecular formula C3H9BrN2O2S and a molecular weight of 217.09 g/mol. Its IUPAC name is 2-amino-3-bromopropane-1-sulfonamide.

Molecular Properties

Compound Name2-amino-3-bromopropane-1-sulfonamide
PubChem CID57161748
Molecular FormulaC3H9BrN2O2S
Molecular Weight217.09 g/mol
Exact Mass215.96
IUPAC Name2-amino-3-bromopropane-1-sulfonamide
SMILESNC(CBr)CS(N)(=O)=O
InChIInChI=1S/C3H9BrN2O2S/c4-1-3(5)2-9(6,7)8/h3H,1-2,5H2,(H2,6,7,8)
InChIKeyWBNYFSJPUUMXCT-UHFFFAOYSA-N
XLogP-1.00
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromopropane-1-sulfonamide?
The IUPAC name of 2-amino-3-bromopropane-1-sulfonamide (CID 57161748) is 2-amino-3-bromopropane-1-sulfonamide.
What is the SMILES notation for 2-amino-3-bromopropane-1-sulfonamide?
The canonical SMILES for 2-amino-3-bromopropane-1-sulfonamide is NC(CBr)CS(N)(=O)=O.
What is the InChIKey of 2-amino-3-bromopropane-1-sulfonamide?
The InChIKey is WBNYFSJPUUMXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9BrN2O2S/c4-1-3(5)2-9(6,7)8/h3H,1-2,5H2,(H2,6,7,8).
What are the key properties of 2-amino-3-bromopropane-1-sulfonamide?
2-amino-3-bromopropane-1-sulfonamide has a molecular weight of 217.09 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromopropane-1-sulfonamide is sourced from PubChem (CID 57161748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).