5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride

C13H25ClN2O3S2 — CID 120717305

IUPAC5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc(C(C)(C)C)s1.Cl
InChIInChI=1S/C13H24N2O3S2.ClH/c1-13(2,3)11-5-6-12(19-11)20(16,17)15-8-7-14-9-10-18-4;/h5-6,14-15H,7-10H2,1-4H3;1H
InChIKeyZMOILIUYVBRMBW-UHFFFAOYSA-N
MW356.94 g/mol
LogP1.98
Rot. Bonds8

About 5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride

5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 120717305) has the molecular formula C13H25ClN2O3S2 and a molecular weight of 356.94 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID120717305
Molecular FormulaC13H25ClN2O3S2
Molecular Weight356.94 g/mol
Exact Mass356.10
IUPAC Name5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc(C(C)(C)C)s1.Cl
InChIInChI=1S/C13H24N2O3S2.ClH/c1-13(2,3)11-5-6-12(19-11)20(16,17)15-8-7-14-9-10-18-4;/h5-6,14-15H,7-10H2,1-4H3;1H
InChIKeyZMOILIUYVBRMBW-UHFFFAOYSA-N
XLogP1.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 120717968
N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 120717360
N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 120717361
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100525
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717314
2-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]-1,3-benzothiazole-6-sulfonamide;hydrochloride
CID 120717580
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120717757
N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride
CID 119975669
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120717896

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride (CID 120717305) is 5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1ccc(C(C)(C)C)s1.Cl.
What is the InChIKey of 5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is ZMOILIUYVBRMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2.ClH/c1-13(2,3)11-5-6-12(19-11)20(16,17)15-8-7-14-9-10-18-4;/h5-6,14-15H,7-10H2,1-4H3;1H.
What are the key properties of 5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120717305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).