N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide

C10H22BrNO2S — CID 103521761

IUPACN-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
SMILESCCN(CCBr)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C10H22BrNO2S/c1-5-12(8-7-11)15(13,14)9-6-10(2,3)4/h5-9H2,1-4H3
InChIKeyACXQGPMKCUSSNY-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.47
Rot. Bonds6

About N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide

N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521761) has the molecular formula C10H22BrNO2S and a molecular weight of 300.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521761
Molecular FormulaC10H22BrNO2S
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC NameN-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
SMILESCCN(CCBr)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C10H22BrNO2S/c1-5-12(8-7-11)15(13,14)9-6-10(2,3)4/h5-9H2,1-4H3
InChIKeyACXQGPMKCUSSNY-UHFFFAOYSA-N
XLogP2.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3,3-dimethylbutane-1-sulfonamide
CID 11435984
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide
CID 107492718
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylpropane-1-sulfonamide
CID 107492755
N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 107492957
N-(2-bromoethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 113966144
N-(3,3-dimethylbutyl)-N-ethylbutane-1-sulfonamide
CID 18735816
N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide
CID 18735834
N-(3,3-dimethylbutyl)-N-propylethanesulfonamide
CID 18735836
N-(3,3-dimethylbutyl)-N-propylpropane-1-sulfonamide
CID 18735845
N-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 18736098
N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide
CID 18736100
N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide
CID 18736106

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide (CID 103521761) is N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide is CCN(CCBr)S(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is ACXQGPMKCUSSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2S/c1-5-12(8-7-11)15(13,14)9-6-10(2,3)4/h5-9H2,1-4H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide?
N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 300.26 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).