N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide

C13H25N3O2S2 — CID 106017150

IUPACN-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NCC(C)N(C)C)cc1C
InChIInChI=1S/C13H25N3O2S2/c1-6-14-9-12-10(2)7-13(19-12)20(17,18)15-8-11(3)16(4)5/h7,11,14-15H,6,8-9H2,1-5H3
InChIKeyJEEWTLGCIGMVCN-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.39
Rot. Bonds8

About N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide

N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide (PubChem CID 106017150) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
PubChem CID106017150
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC NameN-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NCC(C)N(C)C)cc1C
InChIInChI=1S/C13H25N3O2S2/c1-6-14-9-12-10(2)7-13(19-12)20(17,18)15-8-11(3)16(4)5/h7,11,14-15H,6,8-9H2,1-5H3
InChIKeyJEEWTLGCIGMVCN-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

5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 79925416
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106017165
5-(ethylaminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106296004
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
5-(ethylaminomethyl)-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018782
5-(ethylaminomethyl)-4-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106030879
5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 115988589
5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106053936
5-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-2-sulfonamide
CID 106093639
5-(ethylaminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-2-sulfonamide
CID 106092675
5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 106067439
5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015104

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide (CID 106017150) is N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide is CCNCc1sc(S(=O)(=O)NCC(C)N(C)C)cc1C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is JEEWTLGCIGMVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-6-14-9-12-10(2)7-13(19-12)20(17,18)15-8-11(3)16(4)5/h7,11,14-15H,6,8-9H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide?
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-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]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106017150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).