2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine

C13H18BrNO2S — CID 51086821

IUPAC2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine
SMILESCN(CCS(=O)(=O)c1ccc(Br)cc1)CC1CC1
InChIInChI=1S/C13H18BrNO2S/c1-15(10-11-2-3-11)8-9-18(16,17)13-6-4-12(14)5-7-13/h4-7,11H,2-3,8-10H2,1H3
InChIKeyBXECWZWAWYOCQH-UHFFFAOYSA-N
MW332.26 g/mol
LogP2.56
Rot. Bonds6

About 2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine

2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine (PubChem CID 51086821) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine
PubChem CID51086821
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine
SMILESCN(CCS(=O)(=O)c1ccc(Br)cc1)CC1CC1
InChIInChI=1S/C13H18BrNO2S/c1-15(10-11-2-3-11)8-9-18(16,17)13-6-4-12(14)5-7-13/h4-7,11H,2-3,8-10H2,1H3
InChIKeyBXECWZWAWYOCQH-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one
CID 62612491
2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 106636374
(1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 8552375
2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615516
N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine
CID 66181970
2-[2-(4-bromophenyl)sulfonylethyl-methylamino]propanoic acid
CID 55096547
N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine
CID 114231205
2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 27243950
2-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylethanamine
CID 71902930
4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79858261
2-(4-bromophenyl)sulfonyl-N-methylethanamine
CID 60641137
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine (CID 51086821) is 2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine is CN(CCS(=O)(=O)c1ccc(Br)cc1)CC1CC1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine?
The InChIKey is BXECWZWAWYOCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-15(10-11-2-3-11)8-9-18(16,17)13-6-4-12(14)5-7-13/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine?
2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine has a molecular weight of 332.26 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine is sourced from PubChem (CID 51086821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).