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

C8H14BrClN2O2S2 — CID 119964647

IUPAC3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1sccc1Br.Cl
InChIInChI=1S/C8H13BrN2O2S2.ClH/c1-10-4-2-5-11-15(12,13)8-7(9)3-6-14-8;/h3,6,10-11H,2,4-5H2,1H3;1H
InChIKeyZRACAYALKOPKRR-UHFFFAOYSA-N
MW349.70 g/mol
LogP1.82
Rot. Bonds6

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

3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 119964647) has the molecular formula C8H14BrClN2O2S2 and a molecular weight of 349.70 g/mol. Its IUPAC name is 3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID119964647
Molecular FormulaC8H14BrClN2O2S2
Molecular Weight349.70 g/mol
Exact Mass347.94
IUPAC Name3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1sccc1Br.Cl
InChIInChI=1S/C8H13BrN2O2S2.ClH/c1-10-4-2-5-11-15(12,13)8-7(9)3-6-14-8;/h3,6,10-11H,2,4-5H2,1H3;1H
InChIKeyZRACAYALKOPKRR-UHFFFAOYSA-N
XLogP1.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 51.82
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

3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 119964955
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
CID 103858901
3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide
CID 106304866
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide
CID 61072375
3-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 103834752
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
CID 84591422
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide
CID 61456223
4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
CID 112732422
3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 113400598
3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 113225806

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride (CID 119964647) is 3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride is CNCCCNS(=O)(=O)c1sccc1Br.Cl.
What is the InChIKey of 3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is ZRACAYALKOPKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2S2.ClH/c1-10-4-2-5-11-15(12,13)8-7(9)3-6-14-8;/h3,6,10-11H,2,4-5H2,1H3;1H.
What are the key properties of 3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride?
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 349.70 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119964647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).