N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine

C12H18BrNO2S — CID 64675828

IUPACN-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO2S/c1-12(2,3)14-7-8-17(15,16)11-6-4-5-10(13)9-11/h4-6,9,14H,7-8H2,1-3H3
InChIKeyVKGJHZJKOUHHSX-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.61
Rot. Bonds4

About N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine

N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine (PubChem CID 64675828) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine
PubChem CID64675828
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC NameN-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO2S/c1-12(2,3)14-7-8-17(15,16)11-6-4-5-10(13)9-11/h4-6,9,14H,7-8H2,1-3H3
InChIKeyVKGJHZJKOUHHSX-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)sulfonyl-2,2-dimethylbutan-1-amine
CID 65256667
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1-bromo-3-(3-fluoropropylsulfonyl)benzene
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4-(3-bromophenyl)sulfonyl-N-propylbutan-2-amine
CID 64676423
N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide
CID 138020430
N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64675930
1-bromo-3-(2-phenylethylsulfonyl)benzene
CID 67134245
(3-bromophenyl)sulfonylmethyl acetate
CID 151243050
lithium 3-bromobenzenesulfonate
CID 139842272
4-[2-(3-bromophenyl)sulfonylethyl]piperidine
CID 57195394
2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263769
4-[3-(3-bromophenyl)sulfonylpropoxy]aniline
CID 62805519

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine (CID 64675828) is N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine is CC(C)(C)NCCS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine?
The InChIKey is VKGJHZJKOUHHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-12(2,3)14-7-8-17(15,16)11-6-4-5-10(13)9-11/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine?
N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine has a molecular weight of 320.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64675828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).