2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone

C9H13NO3S2 — CID 82180145

IUPAC2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone
SMILESNCCCS(=O)(=O)CC(=O)c1cccs1
InChIInChI=1S/C9H13NO3S2/c10-4-2-6-15(12,13)7-8(11)9-3-1-5-14-9/h1,3,5H,2,4,6-7,10H2
InChIKeyHIQBGZKEYGYHNJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.69
Rot. Bonds6

About 2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone

2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone (PubChem CID 82180145) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone
PubChem CID82180145
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC Name2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone
SMILESNCCCS(=O)(=O)CC(=O)c1cccs1
InChIInChI=1S/C9H13NO3S2/c10-4-2-6-15(12,13)7-8(11)9-3-1-5-14-9/h1,3,5H,2,4,6-7,10H2
InChIKeyHIQBGZKEYGYHNJ-UHFFFAOYSA-N
XLogP0.69
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone 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

4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
2-methylsulfonyl-1-thiophen-2-ylethanone
CID 4253076
2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone
CID 82180151
N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796400
2-[(2-oxo-2-thiophen-2-ylethyl)sulfonylmethyl]benzonitrile
CID 82178434
4-(2-methylbutylsulfonyl)-1-thiophen-2-ylbutan-1-one
CID 107767773
2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone
CID 64643112
1-thiophen-2-ylpropan-1-one
CID 26179
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
4-butan-2-ylsulfonyl-1-thiophen-2-ylbutan-1-one
CID 64643546
aminomethyl thiophene-2-carboxylate
CID 142796710
4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one
CID 64643110

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone (CID 82180145) is 2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone is NCCCS(=O)(=O)CC(=O)c1cccs1.
What is the InChIKey of 2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone?
The InChIKey is HIQBGZKEYGYHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c10-4-2-6-15(12,13)7-8(11)9-3-1-5-14-9/h1,3,5H,2,4,6-7,10H2.
What are the key properties of 2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone?
2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone has a molecular weight of 247.34 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 82180145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).