N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide

C10H18BrNO3S — CID 114294616

IUPACN-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCC(Br)C1CC1)C1CCOCC1
InChIInChI=1S/C10H18BrNO3S/c11-10(8-1-2-8)7-12-16(13,14)9-3-5-15-6-4-9/h8-10,12H,1-7H2
InChIKeyJBLNGNXQQRYPNA-UHFFFAOYSA-N
MW312.23 g/mol
LogP1.26
Rot. Bonds5

About N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide

N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide (PubChem CID 114294616) has the molecular formula C10H18BrNO3S and a molecular weight of 312.23 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide
PubChem CID114294616
Molecular FormulaC10H18BrNO3S
Molecular Weight312.23 g/mol
Exact Mass311.02
IUPAC NameN-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCC(Br)C1CC1)C1CCOCC1
InChIInChI=1S/C10H18BrNO3S/c11-10(8-1-2-8)7-12-16(13,14)9-3-5-15-6-4-9/h8-10,12H,1-7H2
InChIKeyJBLNGNXQQRYPNA-UHFFFAOYSA-N
XLogP1.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 51.26
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

N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306
N-[(2R)-2-hydroxypropyl]oxane-4-sulfonamide
CID 83029694
methyl 2-bromo-3-(oxan-4-ylsulfonylamino)propanoate
CID 103493673
N-(2-bromo-2-phenylethyl)oxane-4-sulfonamide
CID 113271345
N-(2-cyanopropyl)oxane-4-sulfonamide
CID 62653493
2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 62675881
N-(2-bromo-2-cyclopropylethyl)methanesulfonamide
CID 114294506
N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide
CID 114145876
N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide
CID 114168552
N-(6-bromohexyl)oxane-4-sulfonamide
CID 107848871
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide
CID 95617460
N-(4-iodobutyl)oxane-4-sulfonamide
CID 106846685

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide (CID 114294616) is N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide is O=S(=O)(NCC(Br)C1CC1)C1CCOCC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide?
The InChIKey is JBLNGNXQQRYPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO3S/c11-10(8-1-2-8)7-12-16(13,14)9-3-5-15-6-4-9/h8-10,12H,1-7H2.
What are the key properties of N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide?
N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide has a molecular weight of 312.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide is sourced from PubChem (CID 114294616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).