3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide

C4H13BrN2O3S — CID 45260078

IUPAC3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide
SMILESBr.CN(O)S(=O)(=O)CCCN
InChIInChI=1S/C4H12N2O3S.BrH/c1-6(7)10(8,9)4-2-3-5;/h7H,2-5H2,1H3;1H
InChIKeyWLDQJNBWOBNPFS-UHFFFAOYSA-N
MW249.13 g/mol
LogP-0.44
Rot. Bonds4

About 3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide

3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide (PubChem CID 45260078) has the molecular formula C4H13BrN2O3S and a molecular weight of 249.13 g/mol. Its IUPAC name is 3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide.

Molecular Properties

Compound Name3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide
PubChem CID45260078
Molecular FormulaC4H13BrN2O3S
Molecular Weight249.13 g/mol
Exact Mass247.98
IUPAC Name3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide
SMILESBr.CN(O)S(=O)(=O)CCCN
InChIInChI=1S/C4H12N2O3S.BrH/c1-6(7)10(8,9)4-2-3-5;/h7H,2-5H2,1H3;1H
InChIKeyWLDQJNBWOBNPFS-UHFFFAOYSA-N
XLogP-0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide?
The IUPAC name of 3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide (CID 45260078) is 3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide.
What is the SMILES notation for 3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide?
The canonical SMILES for 3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide is Br.CN(O)S(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide?
The InChIKey is WLDQJNBWOBNPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3S.BrH/c1-6(7)10(8,9)4-2-3-5;/h7H,2-5H2,1H3;1H.
What are the key properties of 3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide?
3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide has a molecular weight of 249.13 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide is sourced from PubChem (CID 45260078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).