2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol

C10H22N2S — CID 115224308

IUPAC2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
SMILESCN1CCC(CCNCCS)CC1
InChIInChI=1S/C10H22N2S/c1-12-7-3-10(4-8-12)2-5-11-6-9-13/h10-11,13H,2-9H2,1H3
InChIKeyOWVLKVHSSNQJIK-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.24
Rot. Bonds5

About 2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol

2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol (PubChem CID 115224308) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
PubChem CID115224308
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
SMILESCN1CCC(CCNCCS)CC1
InChIInChI=1S/C10H22N2S/c1-12-7-3-10(4-8-12)2-5-11-6-9-13/h10-11,13H,2-9H2,1H3
InChIKeyOWVLKVHSSNQJIK-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230410
2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210457
N-[2-(1-methylpiperidin-4-yl)ethyl]pent-4-yn-1-amine
CID 114515637
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine
CID 115230617
N-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515397
2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 114515462
2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine
CID 114200185
2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol
CID 114515594

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol?
The IUPAC name of 2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol (CID 115224308) is 2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol.
What is the SMILES notation for 2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol?
The canonical SMILES for 2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol is CN1CCC(CCNCCS)CC1.
What is the InChIKey of 2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol?
The InChIKey is OWVLKVHSSNQJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-12-7-3-10(4-8-12)2-5-11-6-9-13/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol?
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol has a molecular weight of 202.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol is sourced from PubChem (CID 115224308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).