N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide

C11H22BrNO2S — CID 103521784

IUPACN-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC(Br)C1CC1
InChIInChI=1S/C11H22BrNO2S/c1-11(2,3)6-7-16(14,15)13-8-10(12)9-4-5-9/h9-10,13H,4-8H2,1-3H3
InChIKeyPEGGXLDLKOAQLA-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.52
Rot. Bonds6

About N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide

N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521784) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521784
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC(Br)C1CC1
InChIInChI=1S/C11H22BrNO2S/c1-11(2,3)6-7-16(14,15)13-8-10(12)9-4-5-9/h9-10,13H,4-8H2,1-3H3
InChIKeyPEGGXLDLKOAQLA-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-bromo-2-fluorocyclopropyl)butyl]ethanesulfonamide
CID 177901846
N-(2-bromo-4,4-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107158094
N-(3-bromopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521324
N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521327
N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521777
N-(5-bromopentan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521786
N-(4-bromo-2-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521787
N-(2-bromopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521789
N-(1-bromo-4-methylpentan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521797
N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521799
N-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521801
N-(4-bromo-2-ethylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521804

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide (CID 103521784) is N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCC(Br)C1CC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is PEGGXLDLKOAQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-11(2,3)6-7-16(14,15)13-8-10(12)9-4-5-9/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).