N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide

C11H20BrNO3S — CID 114758693

IUPACN-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide
SMILESO=S(=O)(NCC1(CCBr)CC1)C1CCOCC1
InChIInChI=1S/C11H20BrNO3S/c12-6-5-11(3-4-11)9-13-17(14,15)10-1-7-16-8-2-10/h10,13H,1-9H2
InChIKeyLTGQKZUBCBJPNP-UHFFFAOYSA-N
MW326.26 g/mol
LogP1.65
Rot. Bonds6

About N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide

N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide (PubChem CID 114758693) has the molecular formula C11H20BrNO3S and a molecular weight of 326.26 g/mol. Its IUPAC name is N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide
PubChem CID114758693
Molecular FormulaC11H20BrNO3S
Molecular Weight326.26 g/mol
Exact Mass325.03
IUPAC NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide
SMILESO=S(=O)(NCC1(CCBr)CC1)C1CCOCC1
InChIInChI=1S/C11H20BrNO3S/c12-6-5-11(3-4-11)9-13-17(14,15)10-1-7-16-8-2-10/h10,13H,1-9H2
InChIKeyLTGQKZUBCBJPNP-UHFFFAOYSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 51.65
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-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
CID 62047541
N-(6-bromohexyl)oxane-4-sulfonamide
CID 107848871
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide
CID 114758715
N-[(3-hydroxyoxolan-3-yl)methyl]oxane-4-sulfonamide
CID 103848200
N-[[1-(aminomethyl)cyclopropyl]methyl]cyclopentanesulfonamide
CID 105361881
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide
CID 114759085
N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide
CID 103970367
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide
CID 103970028
N-[(1-aminocyclopropyl)methyl]cyclopropanesulfonamide
CID 165466108
N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide
CID 114294616
N-(1-bromobutan-2-yl)oxane-4-sulfonamide
CID 114298444
N-[(1-ethylcyclopropyl)methyl]-1-methyl-5-oxopyrrolidine-3-sulfonamide
CID 126823448

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide?
The IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide (CID 114758693) is N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide?
The canonical SMILES for N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide is O=S(=O)(NCC1(CCBr)CC1)C1CCOCC1.
What is the InChIKey of N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide?
The InChIKey is LTGQKZUBCBJPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3S/c12-6-5-11(3-4-11)9-13-17(14,15)10-1-7-16-8-2-10/h10,13H,1-9H2.
What are the key properties of N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide?
N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide has a molecular weight of 326.26 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide is sourced from PubChem (CID 114758693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).