5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride

C9H16BrClN2O2S2 — CID 120718077

IUPAC5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
SMILESCNCCN(C)S(=O)(=O)c1cc(Br)sc1C.Cl
InChIInChI=1S/C9H15BrN2O2S2.ClH/c1-7-8(6-9(10)15-7)16(13,14)12(3)5-4-11-2;/h6,11H,4-5H2,1-3H3;1H
InChIKeyYRZCLLVLYWJUJI-UHFFFAOYSA-N
MW363.73 g/mol
LogP2.08
Rot. Bonds5

About 5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride

5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride (PubChem CID 120718077) has the molecular formula C9H16BrClN2O2S2 and a molecular weight of 363.73 g/mol. Its IUPAC name is 5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
PubChem CID120718077
Molecular FormulaC9H16BrClN2O2S2
Molecular Weight363.73 g/mol
Exact Mass361.95
IUPAC Name5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
SMILESCNCCN(C)S(=O)(=O)c1cc(Br)sc1C.Cl
InChIInChI=1S/C9H15BrN2O2S2.ClH/c1-7-8(6-9(10)15-7)16(13,14)12(3)5-4-11-2;/h6,11H,4-5H2,1-3H3;1H
InChIKeyYRZCLLVLYWJUJI-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide
CID 80673410
2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120718040
N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79489921
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056
3-bromo-2-methyl-5-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid
CID 79567907
2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide
CID 103103884
5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide
CID 103748005
1-[1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119960931
4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328778
N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 115756286

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride (CID 120718077) is 5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride is CNCCN(C)S(=O)(=O)c1cc(Br)sc1C.Cl.
What is the InChIKey of 5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride?
The InChIKey is YRZCLLVLYWJUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2S2.ClH/c1-7-8(6-9(10)15-7)16(13,14)12(3)5-4-11-2;/h6,11H,4-5H2,1-3H3;1H.
What are the key properties of 5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride?
5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride has a molecular weight of 363.73 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120718077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).