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

C9H17ClN2O3S2 — CID 120717968

IUPACN-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cccs1.Cl
InChIInChI=1S/C9H16N2O3S2.ClH/c1-14-7-6-10-4-5-11-16(12,13)9-3-2-8-15-9;/h2-3,8,10-11H,4-7H2,1H3;1H
InChIKeyCFYZRZDDVBPEEM-UHFFFAOYSA-N
MW300.83 g/mol
LogP0.68
Rot. Bonds8

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

N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 120717968) has the molecular formula C9H17ClN2O3S2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID120717968
Molecular FormulaC9H17ClN2O3S2
Molecular Weight300.83 g/mol
Exact Mass300.04
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cccs1.Cl
InChIInChI=1S/C9H16N2O3S2.ClH/c1-14-7-6-10-4-5-11-16(12,13)9-3-2-8-15-9;/h2-3,8,10-11H,4-7H2,1H3;1H
InChIKeyCFYZRZDDVBPEEM-UHFFFAOYSA-N
XLogP0.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 50.68
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-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
2-(2-methoxyethoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 108574842
N-(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3855268
N-(2-aminooxyethyl)thiophene-2-sulfonamide
CID 39245279
5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 120717305
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717314
N-pentylthiophene-2-sulfonamide
CID 5150701
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride (CID 120717968) is N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1cccs1.Cl.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is CFYZRZDDVBPEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2.ClH/c1-14-7-6-10-4-5-11-16(12,13)9-3-2-8-15-9;/h2-3,8,10-11H,4-7H2,1H3;1H.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120717968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).