N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide

C11H23BrN2O3S — CID 107158136

IUPACN-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide
SMILESCC(C)(C)CC(Br)CNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H23BrN2O3S/c1-11(2,3)8-10(12)9-13-18(15,16)14-4-6-17-7-5-14/h10,13H,4-9H2,1-3H3
InChIKeyZKHMHPDYESKRSJ-UHFFFAOYSA-N
MW343.29 g/mol
LogP1.35
Rot. Bonds5

About N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide

N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide (PubChem CID 107158136) has the molecular formula C11H23BrN2O3S and a molecular weight of 343.29 g/mol. Its IUPAC name is N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide
PubChem CID107158136
Molecular FormulaC11H23BrN2O3S
Molecular Weight343.29 g/mol
Exact Mass342.06
IUPAC NameN-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide
SMILESCC(C)(C)CC(Br)CNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H23BrN2O3S/c1-11(2,3)8-10(12)9-13-18(15,16)14-4-6-17-7-5-14/h10,13H,4-9H2,1-3H3
InChIKeyZKHMHPDYESKRSJ-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4,4-dimethylpentyl)pyrrolidine-1-sulfonamide
CID 107158123
N-(2-bromo-4,4-dimethylpentyl)azepane-1-sulfonamide
CID 107158076
N-[2-methyl-3-(methylamino)propyl]morpholine-4-sulfonamide
CID 115302914
N-(2,2-diethoxyethyl)morpholine-4-sulfonamide
CID 79548082
N-[2-(dimethylamino)ethyl]morpholine-4-sulfonamide
CID 110705984
N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine
CID 15914536
2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanamide
CID 106169265
N-[(2S)-2-methoxy-2-phenylethyl]morpholine-4-sulfonamide
CID 94024917
N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide
CID 103835686
N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
CID 43606820
N-bromomorpholine-4-sulfonamide
CID 117126249

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide?
The IUPAC name of N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide (CID 107158136) is N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide is CC(C)(C)CC(Br)CNS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide?
The InChIKey is ZKHMHPDYESKRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2O3S/c1-11(2,3)8-10(12)9-13-18(15,16)14-4-6-17-7-5-14/h10,13H,4-9H2,1-3H3.
What are the key properties of N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide?
N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide has a molecular weight of 343.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide is sourced from PubChem (CID 107158136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).