N-(2-bromocyclopentyl)oxane-4-sulfonamide

C10H18BrNO3S — CID 80662648

IUPACN-(2-bromocyclopentyl)oxane-4-sulfonamide
SMILESO=S(=O)(NC1CCCC1Br)C1CCOCC1
InChIInChI=1S/C10H18BrNO3S/c11-9-2-1-3-10(9)12-16(13,14)8-4-6-15-7-5-8/h8-10,12H,1-7H2
InChIKeyWPSJZLJDQFCGBQ-UHFFFAOYSA-N
MW312.23 g/mol
LogP1.40
Rot. Bonds3

About N-(2-bromocyclopentyl)oxane-4-sulfonamide

N-(2-bromocyclopentyl)oxane-4-sulfonamide (PubChem CID 80662648) has the molecular formula C10H18BrNO3S and a molecular weight of 312.23 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)oxane-4-sulfonamide
PubChem CID80662648
Molecular FormulaC10H18BrNO3S
Molecular Weight312.23 g/mol
Exact Mass311.02
IUPAC NameN-(2-bromocyclopentyl)oxane-4-sulfonamide
SMILESO=S(=O)(NC1CCCC1Br)C1CCOCC1
InChIInChI=1S/C10H18BrNO3S/c11-9-2-1-3-10(9)12-16(13,14)8-4-6-15-7-5-8/h8-10,12H,1-7H2
InChIKeyWPSJZLJDQFCGBQ-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 56824320
CID 56824320
CID 62048990
CID 62048990
CID 80661747
CID 80661747
CID 80662339
CID 80662339
CID 80662744
CID 80662744
CID 80662841
CID 80662841
CID 80663044
CID 80663044
CID 83180049
CID 83180049
CID 104111162
CID 104111162
CID 104111167
CID 104111167
CID 104284230
CID 104284230
CID 106135762
CID 106135762

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)oxane-4-sulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)oxane-4-sulfonamide (CID 80662648) is N-(2-bromocyclopentyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)oxane-4-sulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)oxane-4-sulfonamide is O=S(=O)(NC1CCCC1Br)C1CCOCC1.
What is the InChIKey of N-(2-bromocyclopentyl)oxane-4-sulfonamide?
The InChIKey is WPSJZLJDQFCGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO3S/c11-9-2-1-3-10(9)12-16(13,14)8-4-6-15-7-5-8/h8-10,12H,1-7H2.
What are the key properties of N-(2-bromocyclopentyl)oxane-4-sulfonamide?
N-(2-bromocyclopentyl)oxane-4-sulfonamide has a molecular weight of 312.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)oxane-4-sulfonamide is sourced from PubChem (CID 80662648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).