1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine

C11H19BrN2O2S2 — CID 79849781

IUPAC1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine
SMILESCC(N)C(c1cc(Br)cs1)N(C)CCS(C)(=O)=O
InChIInChI=1S/C11H19BrN2O2S2/c1-8(13)11(10-6-9(12)7-17-10)14(2)4-5-18(3,15)16/h6-8,11H,4-5,13H2,1-3H3
InChIKeyXCJYRYZGLUKMFL-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.88
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine

1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine (PubChem CID 79849781) has the molecular formula C11H19BrN2O2S2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine
PubChem CID79849781
Molecular FormulaC11H19BrN2O2S2
Molecular Weight355.32 g/mol
Exact Mass354.01
IUPAC Name1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine
SMILESCC(N)C(c1cc(Br)cs1)N(C)CCS(C)(=O)=O
InChIInChI=1S/C11H19BrN2O2S2/c1-8(13)11(10-6-9(12)7-17-10)14(2)4-5-18(3,15)16/h6-8,11H,4-5,13H2,1-3H3
InChIKeyXCJYRYZGLUKMFL-UHFFFAOYSA-N
XLogP1.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine with MolForge

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Related Compounds

1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112657411
2-[2-[[2-amino-1-(4-bromothiophen-2-yl)propyl]-methylamino]ethoxy]ethanol
CID 114243019
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81058663
1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 107167355
1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021914
3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine
CID 79850078
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
1-(4-bromothiophen-2-yl)-1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62979992
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 115380506
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine (CID 79849781) is 1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine is CC(N)C(c1cc(Br)cs1)N(C)CCS(C)(=O)=O.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine?
The InChIKey is XCJYRYZGLUKMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2S2/c1-8(13)11(10-6-9(12)7-17-10)14(2)4-5-18(3,15)16/h6-8,11H,4-5,13H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine?
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine has a molecular weight of 355.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine is sourced from PubChem (CID 79849781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).