2-[3-(aminomethyl)piperidin-1-yl]ethanethiol

C8H18N2S — CID 84655015

IUPAC2-[3-(aminomethyl)piperidin-1-yl]ethanethiol
SMILESNCC1CCCN(CCS)C1
InChIInChI=1S/C8H18N2S/c9-6-8-2-1-3-10(7-8)4-5-11/h8,11H,1-7,9H2
InChIKeyKNAZORQHFUKFER-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.59
Rot. Bonds3

About 2-[3-(aminomethyl)piperidin-1-yl]ethanethiol

2-[3-(aminomethyl)piperidin-1-yl]ethanethiol (PubChem CID 84655015) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-[3-(aminomethyl)piperidin-1-yl]ethanethiol.

Molecular Properties

Compound Name2-[3-(aminomethyl)piperidin-1-yl]ethanethiol
PubChem CID84655015
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name2-[3-(aminomethyl)piperidin-1-yl]ethanethiol
SMILESNCC1CCCN(CCS)C1
InChIInChI=1S/C8H18N2S/c9-6-8-2-1-3-10(7-8)4-5-11/h8,11H,1-7,9H2
InChIKeyKNAZORQHFUKFER-UHFFFAOYSA-N
XLogP0.59
TPSA29.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(aminomethyl)piperidin-1-yl]ethanethiol 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

[1-(3-fluoropropyl)piperidin-3-yl]methanamine
CID 81107283
2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide
CID 114385443
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
CID 156595342
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 60962395
N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride
CID 119915689
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine
CID 84664103

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]ethanethiol?
The IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]ethanethiol (CID 84655015) is 2-[3-(aminomethyl)piperidin-1-yl]ethanethiol.
What is the SMILES notation for 2-[3-(aminomethyl)piperidin-1-yl]ethanethiol?
The canonical SMILES for 2-[3-(aminomethyl)piperidin-1-yl]ethanethiol is NCC1CCCN(CCS)C1.
What is the InChIKey of 2-[3-(aminomethyl)piperidin-1-yl]ethanethiol?
The InChIKey is KNAZORQHFUKFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c9-6-8-2-1-3-10(7-8)4-5-11/h8,11H,1-7,9H2.
What are the key properties of 2-[3-(aminomethyl)piperidin-1-yl]ethanethiol?
2-[3-(aminomethyl)piperidin-1-yl]ethanethiol has a molecular weight of 174.31 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)piperidin-1-yl]ethanethiol is sourced from PubChem (CID 84655015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).