1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine

C10H17BrN2O2S2 — CID 115380506

IUPAC1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCN(CCS(C)(=O)=O)C(CN)c1sccc1Br
InChIInChI=1S/C10H17BrN2O2S2/c1-13(4-6-17(2,14)15)9(7-12)10-8(11)3-5-16-10/h3,5,9H,4,6-7,12H2,1-2H3
InChIKeyHYBOCERXQPQPHF-UHFFFAOYSA-N
MW341.30 g/mol
LogP1.49
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine

1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine (PubChem CID 115380506) has the molecular formula C10H17BrN2O2S2 and a molecular weight of 341.30 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
PubChem CID115380506
Molecular FormulaC10H17BrN2O2S2
Molecular Weight341.30 g/mol
Exact Mass339.99
IUPAC Name1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCN(CCS(C)(=O)=O)C(CN)c1sccc1Br
InChIInChI=1S/C10H17BrN2O2S2/c1-13(4-6-17(2,14)15)9(7-12)10-8(11)3-5-16-10/h3,5,9H,4,6-7,12H2,1-2H3
InChIKeyHYBOCERXQPQPHF-UHFFFAOYSA-N
XLogP1.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 115380264
1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79849962
(1R)-1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055235
1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 80534875
1-(3-bromothiophen-2-yl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 115380401
1-(3-bromothiophen-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 115380316
2-(3-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011912
N-[2-(dimethylamino)ethyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 63693012
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182
1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine
CID 115380378
1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848103
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79842754

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine (CID 115380506) is 1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine is CN(CCS(C)(=O)=O)C(CN)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is HYBOCERXQPQPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2S2/c1-13(4-6-17(2,14)15)9(7-12)10-8(11)3-5-16-10/h3,5,9H,4,6-7,12H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 341.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 115380506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).