1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine

C12H18BrNO2S — CID 64646640

IUPAC1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)CS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H18BrNO2S/c1-12(2,3)11(14)8-17(15,16)10-7-5-4-6-9(10)13/h4-7,11H,8,14H2,1-3H3
InChIKeyTZHZFZMMGJNLLO-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.60
Rot. Bonds3

About 1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine

1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine (PubChem CID 64646640) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine
PubChem CID64646640
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)CS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H18BrNO2S/c1-12(2,3)11(14)8-17(15,16)10-7-5-4-6-9(10)13/h4-7,11H,8,14H2,1-3H3
InChIKeyTZHZFZMMGJNLLO-UHFFFAOYSA-N
XLogP2.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine 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

1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene
CID 64995737
1-bromo-2-[2-(bromomethyl)pentylsulfonyl]benzene
CID 65014192
1-bromo-2-propylsulfonylbenzene
CID 54596100
1-bromo-2-(chloromethylsulfonyl)benzene
CID 13279454
1-(2-bromophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 113317935
3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
CID 106584879
1-(2-bromophenyl)sulfanyl-3,3-dimethylbutan-2-amine
CID 64613503
2-bromobenzenesulfonamide;hydrochloride
CID 172836390
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542
1-(2-azidoethylsulfonyl)-2-bromobenzene
CID 61397012
4-(2-bromophenyl)sulfonylbutan-2-one
CID 64641636
(2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424894

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine (CID 64646640) is 1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine is CC(C)(C)C(N)CS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine?
The InChIKey is TZHZFZMMGJNLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-12(2,3)11(14)8-17(15,16)10-7-5-4-6-9(10)13/h4-7,11H,8,14H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine?
1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine has a molecular weight of 320.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 64646640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).