2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide

C13H19N3O2S2 — CID 106032317

IUPAC2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1c(CN)sc2ccccc12
InChIInChI=1S/C13H19N3O2S2/c1-16(2)8-7-15-20(17,18)13-10-5-3-4-6-11(10)19-12(13)9-14/h3-6,15H,7-9,14H2,1-2H3
InChIKeyJFFIEUIYPFQSGF-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.20
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide

2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide (PubChem CID 106032317) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide
PubChem CID106032317
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1c(CN)sc2ccccc12
InChIInChI=1S/C13H19N3O2S2/c1-16(2)8-7-15-20(17,18)13-10-5-3-4-6-11(10)19-12(13)9-14/h3-6,15H,7-9,14H2,1-2H3
InChIKeyJFFIEUIYPFQSGF-UHFFFAOYSA-N
XLogP1.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2-propan-2-yloxyethyl)-1-benzothiophene-3-sulfonamide
CID 106077441
2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide
CID 106093158
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide
CID 106065687
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677
[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1-benzothiophen-2-yl]methanamine
CID 79180012
2-(hydroxymethyl)-N-(2-methoxypropyl)-1-benzothiophene-3-sulfonamide
CID 102701278
2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide
CID 106074734
(3-methyl-1-benzothiophen-2-yl)methanamine
CID 67504872
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
N,N,N'-trimethyl-N'-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]ethane-1,2-diamine
CID 63701253
2-butyl-1-benzothiophene-3-sulfonamide
CID 18331900

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide (CID 106032317) is 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide is CN(C)CCNS(=O)(=O)c1c(CN)sc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide?
The InChIKey is JFFIEUIYPFQSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-16(2)8-7-15-20(17,18)13-10-5-3-4-6-11(10)19-12(13)9-14/h3-6,15H,7-9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide?
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide has a molecular weight of 313.45 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 106032317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).