4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide

C12H19N3O3S2 — CID 119434833

IUPAC4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide
SMILESCC(N)C1CCCCN1C(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S2/c1-8(13)10-4-2-3-5-15(10)12(16)9-6-11(19-7-9)20(14,17)18/h6-8,10H,2-5,13H2,1H3,(H2,14,17,18)
InChIKeyICPMTCRDDYRAKI-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.74
Rot. Bonds3

About 4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide

4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide (PubChem CID 119434833) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide
PubChem CID119434833
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide
SMILESCC(N)C1CCCCN1C(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S2/c1-8(13)10-4-2-3-5-15(10)12(16)9-6-11(19-7-9)20(14,17)18/h6-8,10H,2-5,13H2,1H3,(H2,14,17,18)
InChIKeyICPMTCRDDYRAKI-UHFFFAOYSA-N
XLogP0.74
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-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

ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate
CID 122159396
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone
CID 124569318
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone
CID 124569319
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119436332
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119436957
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124689404
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
4-(2-phenylpyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 51325402
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 119434986
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 119435295

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide (CID 119434833) is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide is CC(N)C1CCCCN1C(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide?
The InChIKey is ICPMTCRDDYRAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-8(13)10-4-2-3-5-15(10)12(16)9-6-11(19-7-9)20(14,17)18/h6-8,10H,2-5,13H2,1H3,(H2,14,17,18).
What are the key properties of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide?
4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide has a molecular weight of 317.44 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide is sourced from PubChem (CID 119434833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).