4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide

C12H21N3O2S2 — CID 79303073

IUPAC4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C12H21N3O2S2/c1-3-15-6-4-5-11(15)8-14(2)19(16,17)12-7-10(13)9-18-12/h7,9,11H,3-6,8,13H2,1-2H3
InChIKeyGAIAFHWGBNYEIQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.44
Rot. Bonds5

About 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide

4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 79303073) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID79303073
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C12H21N3O2S2/c1-3-15-6-4-5-11(15)8-14(2)19(16,17)12-7-10(13)9-18-12/h7,9,11H,3-6,8,13H2,1-2H3
InChIKeyGAIAFHWGBNYEIQ-UHFFFAOYSA-N
XLogP1.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 79318720
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
3-amino-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79303674
2-bromo-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-3-sulfonamide
CID 79308837
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79308982
4-amino-N-cyclohexyl-N-methylthiophene-2-sulfonamide
CID 61300333
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79311862
5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide
CID 79308831
4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79313837
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 99818002
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 79315278
3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79308845

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide (CID 79303073) is 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide is CCN1CCCC1CN(C)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is GAIAFHWGBNYEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-3-15-6-4-5-11(15)8-14(2)19(16,17)12-7-10(13)9-18-12/h7,9,11H,3-6,8,13H2,1-2H3.
What are the key properties of 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide?
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79303073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).