5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride

C10H18BrClN2O2S2 — CID 120716056

IUPAC5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cc(Br)sc1C.Cl
InChIInChI=1S/C10H17BrN2O2S2.ClH/c1-3-4-12-5-6-13-17(14,15)9-7-10(11)16-8(9)2;/h7,12-13H,3-6H2,1-2H3;1H
InChIKeyPEGAUPXOECXJFA-UHFFFAOYSA-N
MW377.76 g/mol
LogP2.52
Rot. Bonds7

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

5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride (PubChem CID 120716056) has the molecular formula C10H18BrClN2O2S2 and a molecular weight of 377.76 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
PubChem CID120716056
Molecular FormulaC10H18BrClN2O2S2
Molecular Weight377.76 g/mol
Exact Mass375.97
IUPAC Name5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cc(Br)sc1C.Cl
InChIInChI=1S/C10H17BrN2O2S2.ClH/c1-3-4-12-5-6-13-17(14,15)9-7-10(11)16-8(9)2;/h7,12-13H,3-6H2,1-2H3;1H
InChIKeyPEGAUPXOECXJFA-UHFFFAOYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.76
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
2,5-dibromo-N-propylthiophene-3-sulfonamide
CID 43212966
5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide
CID 115690369
5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
CID 115690352
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716139
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
CID 114616387
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-2-methylthiophene-3-sulfonamide
CID 106255936
5-bromo-2-methoxy-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715849
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119976925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride (CID 120716056) is 5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1cc(Br)sc1C.Cl.
What is the InChIKey of 5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride?
The InChIKey is PEGAUPXOECXJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2S2.ClH/c1-3-4-12-5-6-13-17(14,15)9-7-10(11)16-8(9)2;/h7,12-13H,3-6H2,1-2H3;1H.
What are the key properties of 5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride?
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride has a molecular weight of 377.76 g/mol, XLogP of 2.52, 7 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-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120716056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).