2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide

C12H22N2O2S2 — CID 79469775

IUPAC2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1ccsc1CN
InChIInChI=1S/C12H22N2O2S2/c1-4-10(3)9-14(5-2)18(15,16)12-6-7-17-11(12)8-13/h6-7,10H,4-5,8-9,13H2,1-3H3
InChIKeyCJASBDLDHYTWLS-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.26
Rot. Bonds7

About 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide

2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide (PubChem CID 79469775) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide
PubChem CID79469775
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1ccsc1CN
InChIInChI=1S/C12H22N2O2S2/c1-4-10(3)9-14(5-2)18(15,16)12-6-7-17-11(12)8-13/h6-7,10H,4-5,8-9,13H2,1-3H3
InChIKeyCJASBDLDHYTWLS-UHFFFAOYSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Aminomethyl)thiophene-2-sulfonamide
CID 4961814
[5-[(4-Methylsulfonyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine
CID 155517450
Benzene-1,4-disulfonic acid 1-dimethylamide 4-[(thiophen-2-ylmethyl)-amide]
CID 1168553
Benzene-1,4-disulfonic acid 1-diethylamide 4-[(thiophen-2-ylmethyl)-amide]
CID 1174581
[5-[(4-Methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine
CID 43155654
US10807974, Example 8
CID 130345054
5-(2-aminoethyl)-N,N-diethylthiophene-2-sulfonamide
CID 43420051
5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide
CID 16227241
[5-(Piperidine-1-sulfonyl)thiophen-2-yl]methanamine
CID 16227277
5-(aminomethyl)-N-ethylthiophene-2-sulfonamide
CID 43155678
N-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine
CID 45822219
N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide
CID 56824124

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide (CID 79469775) is 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide is CCC(C)CN(CC)S(=O)(=O)c1ccsc1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide?
The InChIKey is CJASBDLDHYTWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-4-10(3)9-14(5-2)18(15,16)12-6-7-17-11(12)8-13/h6-7,10H,4-5,8-9,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 79469775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).