6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide

C14H22BrN3O2S — CID 103341450

IUPAC6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N(CCCBr)C2CCC2)nc1
InChIInChI=1S/C14H22BrN3O2S/c1-17(2)21(19,20)13-7-8-14(16-11-13)18(10-4-9-15)12-5-3-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyJJYHDAHQWSQOMT-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.48
Rot. Bonds7

About 6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide

6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341450) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341450
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N(CCCBr)C2CCC2)nc1
InChIInChI=1S/C14H22BrN3O2S/c1-17(2)21(19,20)13-7-8-14(16-11-13)18(10-4-9-15)12-5-3-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyJJYHDAHQWSQOMT-UHFFFAOYSA-N
XLogP2.48
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide (CID 103341450) is 6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(N(CCCBr)C2CCC2)nc1.
What is the InChIKey of 6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is JJYHDAHQWSQOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-17(2)21(19,20)13-7-8-14(16-11-13)18(10-4-9-15)12-5-3-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of 6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 376.32 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).