1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide

C5H10BrNO4S — CID 130623589

IUPAC1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
SMILESO=S(=O)(CBr)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C5H10BrNO4S/c6-3-12(9,10)7-4-1-11-2-5(4)8/h4-5,7-8H,1-3H2/t4-,5-/m1/s1
InChIKeyIZAKTERJVVJVRB-RFZPGFLSSA-N
MW260.11 g/mol
LogP-0.98
Rot. Bonds3

About 1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide

1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide (PubChem CID 130623589) has the molecular formula C5H10BrNO4S and a molecular weight of 260.11 g/mol. Its IUPAC name is 1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
PubChem CID130623589
Molecular FormulaC5H10BrNO4S
Molecular Weight260.11 g/mol
Exact Mass258.95
IUPAC Name1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
SMILESO=S(=O)(CBr)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C5H10BrNO4S/c6-3-12(9,10)7-4-1-11-2-5(4)8/h4-5,7-8H,1-3H2/t4-,5-/m1/s1
InChIKeyIZAKTERJVVJVRB-RFZPGFLSSA-N
XLogP-0.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide (CID 130623589) is 1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide is O=S(=O)(CBr)N[C@@H]1COC[C@H]1O.
What is the InChIKey of 1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide?
The InChIKey is IZAKTERJVVJVRB-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H10BrNO4S/c6-3-12(9,10)7-4-1-11-2-5(4)8/h4-5,7-8H,1-3H2/t4-,5-/m1/s1.
What are the key properties of 1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide?
1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide has a molecular weight of 260.11 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 130623589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).