N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide

C13H25N3O2S2 — CID 106017165

IUPACN-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NCC(C)N(C)C
InChIInChI=1S/C13H25N3O2S2/c1-6-14-8-12-13(10(2)9-19-12)20(17,18)15-7-11(3)16(4)5/h9,11,14-15H,6-8H2,1-5H3
InChIKeyQQXRZUNRSYDMCM-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.39
Rot. Bonds8

About N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide

N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106017165) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
PubChem CID106017165
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC NameN-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NCC(C)N(C)C
InChIInChI=1S/C13H25N3O2S2/c1-6-14-8-12-13(10(2)9-19-12)20(17,18)15-7-11(3)16(4)5/h9,11,14-15H,6-8H2,1-5H3
InChIKeyQQXRZUNRSYDMCM-UHFFFAOYSA-N
XLogP1.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylaminomethyl)-4-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077447
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106017150
2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085306
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
CID 106069892
2-(ethylaminomethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106031339
2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093653
2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
CID 102752676
4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 102754672
N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102755152
2-(ethylaminomethyl)-N-(3-fluorophenyl)-4-methylthiophene-3-sulfonamide
CID 106060584

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide (CID 106017165) is N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)NCC(C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is QQXRZUNRSYDMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-6-14-8-12-13(10(2)9-19-12)20(17,18)15-7-11(3)16(4)5/h9,11,14-15H,6-8H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 319.50 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106017165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).