2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide

C10H18N2O3S2 — CID 81068553

IUPAC2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccsc1CN
InChIInChI=1S/C10H18N2O3S2/c1-3-15-6-5-12(2)17(13,14)10-4-7-16-9(10)8-11/h4,7H,3,5-6,8,11H2,1-2H3
InChIKeyLDJQFLPHRKLMAN-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.86
Rot. Bonds7

About 2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide (PubChem CID 81068553) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide
PubChem CID81068553
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC Name2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccsc1CN
InChIInChI=1S/C10H18N2O3S2/c1-3-15-6-5-12(2)17(13,14)10-4-7-16-9(10)8-11/h4,7H,3,5-6,8,11H2,1-2H3
InChIKeyLDJQFLPHRKLMAN-UHFFFAOYSA-N
XLogP0.86
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide
CID 81067392
2-(aminomethyl)-N-(2-ethoxyethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 81058611
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
CID 81053826
2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053351
4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
5-amino-N-(2-ethoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 81061940
3-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81067596
5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81056979
5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 81052882
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide (CID 81068553) is 2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide is CCOCCN(C)S(=O)(=O)c1ccsc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide?
The InChIKey is LDJQFLPHRKLMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-3-15-6-5-12(2)17(13,14)10-4-7-16-9(10)8-11/h4,7H,3,5-6,8,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide has a molecular weight of 278.40 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 81068553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).