N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide

C12H20BrN3O2S — CID 79667609

IUPACN-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C12H20BrN3O2S/c1-4-16(9-12(2,3)8-14)19(17,18)11-5-10(13)6-15-7-11/h5-7H,4,8-9,14H2,1-3H3
InChIKeyYVFQFSPTLHQHLR-UHFFFAOYSA-N
MW350.28 g/mol
LogP1.84
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide (PubChem CID 79667609) has the molecular formula C12H20BrN3O2S and a molecular weight of 350.28 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide
PubChem CID79667609
Molecular FormulaC12H20BrN3O2S
Molecular Weight350.28 g/mol
Exact Mass349.05
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C12H20BrN3O2S/c1-4-16(9-12(2,3)8-14)19(17,18)11-5-10(13)6-15-7-11/h5-7H,4,8-9,14H2,1-3H3
InChIKeyYVFQFSPTLHQHLR-UHFFFAOYSA-N
XLogP1.84
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 79667940
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 79667869
2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62818897
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide
CID 79668101
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81260224
5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
CID 55207622
2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide
CID 62921775
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 62009438
N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 63229538
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 79664332
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2-fluorobenzenesulfonamide
CID 79667782
5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide
CID 81062093

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide (CID 79667609) is N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide is CCN(CC(C)(C)CN)S(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide?
The InChIKey is YVFQFSPTLHQHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O2S/c1-4-16(9-12(2,3)8-14)19(17,18)11-5-10(13)6-15-7-11/h5-7H,4,8-9,14H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide has a molecular weight of 350.28 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 79667609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).