2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide

C13H18N2O2S3 — CID 106072628

IUPAC2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccsc1CN)c1cccs1
InChIInChI=1S/C13H18N2O2S3/c1-13(2,12-4-3-6-19-12)9-15-20(16,17)11-5-7-18-10(11)8-14/h3-7,15H,8-9,14H2,1-2H3
InChIKeySXPWWHDGMKHHDH-UHFFFAOYSA-N
MW330.50 g/mol
LogP2.52
Rot. Bonds6

About 2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide

2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide (PubChem CID 106072628) has the molecular formula C13H18N2O2S3 and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide
PubChem CID106072628
Molecular FormulaC13H18N2O2S3
Molecular Weight330.50 g/mol
Exact Mass330.05
IUPAC Name2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccsc1CN)c1cccs1
InChIInChI=1S/C13H18N2O2S3/c1-13(2,12-4-3-6-19-12)9-15-20(16,17)11-5-7-18-10(11)8-14/h3-7,15H,8-9,14H2,1-2H3
InChIKeySXPWWHDGMKHHDH-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80522231
2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
CID 114102326
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 79477673
2-amino-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526301
2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526302
4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 110731451
4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80524040
2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 80524392
6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 80522758
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide
CID 80526318
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide (CID 106072628) is 2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide is CC(C)(CNS(=O)(=O)c1ccsc1CN)c1cccs1.
What is the InChIKey of 2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide?
The InChIKey is SXPWWHDGMKHHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S3/c1-13(2,12-4-3-6-19-12)9-15-20(16,17)11-5-7-18-10(11)8-14/h3-7,15H,8-9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide has a molecular weight of 330.50 g/mol, XLogP of 2.52, 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-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106072628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).