2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine

C10H22N2S — CID 39101838

IUPAC2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine
SMILESCC1CCN(CCSCCN)CC1
InChIInChI=1S/C10H22N2S/c1-10-2-5-12(6-3-10)7-9-13-8-4-11/h10H,2-9,11H2,1H3
InChIKeyKRJYMECTZPRLML-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.41
Rot. Bonds5

About 2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine

2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine (PubChem CID 39101838) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine
PubChem CID39101838
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine
SMILESCC1CCN(CCSCCN)CC1
InChIInChI=1S/C10H22N2S/c1-10-2-5-12(6-3-10)7-9-13-8-4-11/h10H,2-9,11H2,1H3
InChIKeyKRJYMECTZPRLML-UHFFFAOYSA-N
XLogP1.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
7-(4-methylpiperidin-1-yl)heptan-1-amine
CID 28596817
4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine
CID 167168209
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
1-(2-fluoroethyl)-4-methylpiperidine;propane
CID 177031790
1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-ol
CID 131963195
2-methyl-5-(4-methylpiperidin-1-yl)pentan-1-amine
CID 82010619
4-methyl-1-[2-(4-methylcyclohexyl)ethyl]piperidine
CID 129059218
[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961302
2-(4-methylpiperidin-1-yl)ethoxymethanetriamine
CID 71080676
N,N-dimethyl-1-(4-methylpiperidin-1-yl)methanamine
CID 20752934

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine (CID 39101838) is 2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine is CC1CCN(CCSCCN)CC1.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine?
The InChIKey is KRJYMECTZPRLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-10-2-5-12(6-3-10)7-9-13-8-4-11/h10H,2-9,11H2,1H3.
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine?
2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine has a molecular weight of 202.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine is sourced from PubChem (CID 39101838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).