5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride

C9H16BrClN2O2S2 — CID 120825128

IUPAC5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cc(Br)sc1C.Cl
InChIInChI=1S/C9H15BrN2O2S2.ClH/c1-6(11-3)5-12-16(13,14)8-4-9(10)15-7(8)2;/h4,6,11-12H,5H2,1-3H3;1H
InChIKeyGBMXCJHDGKINBX-UHFFFAOYSA-N
MW363.73 g/mol
LogP2.13
Rot. Bonds5

About 5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride

5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride (PubChem CID 120825128) has the molecular formula C9H16BrClN2O2S2 and a molecular weight of 363.73 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
PubChem CID120825128
Molecular FormulaC9H16BrClN2O2S2
Molecular Weight363.73 g/mol
Exact Mass361.95
IUPAC Name5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cc(Br)sc1C.Cl
InChIInChI=1S/C9H15BrN2O2S2.ClH/c1-6(11-3)5-12-16(13,14)8-4-9(10)15-7(8)2;/h4,6,11-12H,5H2,1-3H3;1H
InChIKeyGBMXCJHDGKINBX-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120824863
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
CID 113318784
5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683810
5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide
CID 114295520
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454
5-bromo-4-fluoro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824901
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825442
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
CID 115690352

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride (CID 120825128) is 5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1cc(Br)sc1C.Cl.
What is the InChIKey of 5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride?
The InChIKey is GBMXCJHDGKINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2S2.ClH/c1-6(11-3)5-12-16(13,14)8-4-9(10)15-7(8)2;/h4,6,11-12H,5H2,1-3H3;1H.
What are the key properties of 5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride?
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride has a molecular weight of 363.73 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120825128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).