1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide

C9H16N2O2S2 — CID 106056537

IUPAC1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)CN)c1ccsc1
InChIInChI=1S/C9H16N2O2S2/c1-7(5-10)15(12,13)11-8(2)9-3-4-14-6-9/h3-4,6-8,11H,5,10H2,1-2H3
InChIKeyKYCWGNGCMYHKRF-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.08
Rot. Bonds5

About 1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide

1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide (PubChem CID 106056537) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
PubChem CID106056537
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)CN)c1ccsc1
InChIInChI=1S/C9H16N2O2S2/c1-7(5-10)15(12,13)11-8(2)9-3-4-14-6-9/h3-4,6-8,11H,5,10H2,1-2H3
InChIKeyKYCWGNGCMYHKRF-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-(1-thiophen-3-ylethyl)propane-2-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

N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 64586301
5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 106056610
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 106056626
3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056522
4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 55130085
5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056485
2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide
CID 79203391
N-methyl-1-thiophen-3-ylethanesulfonamide
CID 165445460
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide?
The IUPAC name of 1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide (CID 106056537) is 1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide is CC(NS(=O)(=O)C(C)CN)c1ccsc1.
What is the InChIKey of 1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide?
The InChIKey is KYCWGNGCMYHKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-7(5-10)15(12,13)11-8(2)9-3-4-14-6-9/h3-4,6-8,11H,5,10H2,1-2H3.
What are the key properties of 1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide?
1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide has a molecular weight of 248.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide is sourced from PubChem (CID 106056537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).