N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide

C13H25N3O3S2 — CID 106091614

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCCOCCN(C)C)c1
InChIInChI=1S/C13H25N3O3S2/c1-4-14-10-12-9-13(20-11-12)21(17,18)15-5-7-19-8-6-16(2)3/h9,11,14-15H,4-8,10H2,1-3H3
InChIKeyTUHHGNVEAOHMDS-UHFFFAOYSA-N
MW335.50 g/mol
LogP0.71
Rot. Bonds11

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide

N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106091614) has the molecular formula C13H25N3O3S2 and a molecular weight of 335.50 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
PubChem CID106091614
Molecular FormulaC13H25N3O3S2
Molecular Weight335.50 g/mol
Exact Mass335.13
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCCOCCN(C)C)c1
InChIInChI=1S/C13H25N3O3S2/c1-4-14-10-12-9-13(20-11-12)21(17,18)15-5-7-19-8-6-16(2)3/h9,11,14-15H,4-8,10H2,1-3H3
InChIKeyTUHHGNVEAOHMDS-UHFFFAOYSA-N
XLogP0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017589
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106094307
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106082258
N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide
CID 114133354
N-(2-ethoxy-2-methylpropyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106086773
4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095026
N-[4-(dimethylamino)butyl]-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106051706
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094336
4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106064146
4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide
CID 79356541

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide (CID 106091614) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)NCCOCCN(C)C)c1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is TUHHGNVEAOHMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S2/c1-4-14-10-12-9-13(20-11-12)21(17,18)15-5-7-19-8-6-16(2)3/h9,11,14-15H,4-8,10H2,1-3H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 335.50 g/mol, XLogP of 0.71, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106091614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).