N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide

C11H24BrNO2S — CID 103521842

IUPACN-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCCC(Br)CCNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24BrNO2S/c1-5-10(12)6-8-13-16(14,15)9-7-11(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyTXPRSJFGNVHZLR-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.91
Rot. Bonds7

About N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide

N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521842) has the molecular formula C11H24BrNO2S and a molecular weight of 314.29 g/mol. Its IUPAC name is N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521842
Molecular FormulaC11H24BrNO2S
Molecular Weight314.29 g/mol
Exact Mass313.07
IUPAC NameN-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCCC(Br)CCNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24BrNO2S/c1-5-10(12)6-8-13-16(14,15)9-7-11(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyTXPRSJFGNVHZLR-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.91
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-(2-bromo-4,4-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107158094
N-(5-bromo-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 114149891
N-(4,4-dimethylpentyl)propane-2-sulfonamide
CID 153306806
N-(3-bromopropyl)-3-methylbutane-1-sulfonamide
CID 63857861
N-(3-bromopropyl)-2,2-dimethylpropane-1-sulfonamide
CID 64478005
N-(2-bromocyclopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 80663049
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
N-(2-bromoethyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521323
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-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521783

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide (CID 103521842) is N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide is CCC(Br)CCNS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is TXPRSJFGNVHZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO2S/c1-5-10(12)6-8-13-16(14,15)9-7-11(2,3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide?
N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 314.29 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).