N-(3-bromopropyl)oxane-4-sulfonamide

C8H16BrNO3S — CID 62048990

IUPACN-(3-bromopropyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCCCBr)C1CCOCC1
InChIInChI=1S/C8H16BrNO3S/c9-4-1-5-10-14(11,12)8-2-6-13-7-3-8/h8,10H,1-7H2
InChIKeyFNXCKSGXAUGQFZ-UHFFFAOYSA-N
MW286.19 g/mol
LogP0.87
Rot. Bonds5

About N-(3-bromopropyl)oxane-4-sulfonamide

N-(3-bromopropyl)oxane-4-sulfonamide (PubChem CID 62048990) has the molecular formula C8H16BrNO3S and a molecular weight of 286.19 g/mol. Its IUPAC name is N-(3-bromopropyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)oxane-4-sulfonamide
PubChem CID62048990
Molecular FormulaC8H16BrNO3S
Molecular Weight286.19 g/mol
Exact Mass285.00
IUPAC NameN-(3-bromopropyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCCCBr)C1CCOCC1
InChIInChI=1S/C8H16BrNO3S/c9-4-1-5-10-14(11,12)8-2-6-13-7-3-8/h8,10H,1-7H2
InChIKeyFNXCKSGXAUGQFZ-UHFFFAOYSA-N
XLogP0.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)oxane-4-sulfonamide?
The IUPAC name of N-(3-bromopropyl)oxane-4-sulfonamide (CID 62048990) is N-(3-bromopropyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(3-bromopropyl)oxane-4-sulfonamide?
The canonical SMILES for N-(3-bromopropyl)oxane-4-sulfonamide is O=S(=O)(NCCCBr)C1CCOCC1.
What is the InChIKey of N-(3-bromopropyl)oxane-4-sulfonamide?
The InChIKey is FNXCKSGXAUGQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO3S/c9-4-1-5-10-14(11,12)8-2-6-13-7-3-8/h8,10H,1-7H2.
What are the key properties of N-(3-bromopropyl)oxane-4-sulfonamide?
N-(3-bromopropyl)oxane-4-sulfonamide has a molecular weight of 286.19 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)oxane-4-sulfonamide is sourced from PubChem (CID 62048990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).