2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone

C7H14N2OS — CID 84755275

IUPAC2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone
SMILESNCC(=O)N1CCCC(S)C1
InChIInChI=1S/C7H14N2OS/c8-4-7(10)9-3-1-2-6(11)5-9/h6,11H,1-5,8H2
InChIKeyIIKMFKFGSPSKLR-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.13
Rot. Bonds1

About 2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone

2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone (PubChem CID 84755275) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone
PubChem CID84755275
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone
SMILESNCC(=O)N1CCCC(S)C1
InChIInChI=1S/C7H14N2OS/c8-4-7(10)9-3-1-2-6(11)5-9/h6,11H,1-5,8H2
InChIKeyIIKMFKFGSPSKLR-UHFFFAOYSA-N
XLogP-0.13
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone 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

3-sulfanylpiperidine-1-carboxylic acid
CID 91332404
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone
CID 84755438
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741
2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 84755569
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
1-(3-sulfanylpyrrolidin-1-yl)butan-1-one
CID 165402079
2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554554
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone (CID 84755275) is 2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone is NCC(=O)N1CCCC(S)C1.
What is the InChIKey of 2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone?
The InChIKey is IIKMFKFGSPSKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c8-4-7(10)9-3-1-2-6(11)5-9/h6,11H,1-5,8H2.
What are the key properties of 2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone?
2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone has a molecular weight of 174.27 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone is sourced from PubChem (CID 84755275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).