2-(2-piperidin-4-ylethylsulfanyl)ethanamine

C9H20N2S — CID 105061316

IUPAC2-(2-piperidin-4-ylethylsulfanyl)ethanamine
SMILESNCCSCCC1CCNCC1
InChIInChI=1S/C9H20N2S/c10-4-8-12-7-3-9-1-5-11-6-2-9/h9,11H,1-8,10H2
InChIKeyPTQNGXRADUXRSH-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.07
Rot. Bonds5

About 2-(2-piperidin-4-ylethylsulfanyl)ethanamine

2-(2-piperidin-4-ylethylsulfanyl)ethanamine (PubChem CID 105061316) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2-piperidin-4-ylethylsulfanyl)ethanamine
PubChem CID105061316
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name2-(2-piperidin-4-ylethylsulfanyl)ethanamine
SMILESNCCSCCC1CCNCC1
InChIInChI=1S/C9H20N2S/c10-4-8-12-7-3-9-1-5-11-6-2-9/h9,11H,1-8,10H2
InChIKeyPTQNGXRADUXRSH-UHFFFAOYSA-N
XLogP1.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-ylethanamine;trihydrochloride
CID 140995710
4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine
CID 105061300
4-(2-cyclopentylsulfanylethyl)piperidine
CID 105061347
2-(2-cyclopentylethylsulfanyl)ethylcyclopentane
CID 90476031
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
2-piperidin-4-ylethylsulfanylphosphonic acid
CID 175033775
(3S)-3-(2-hexylsulfanylethyl)pyrrolidine
CID 144571572
4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine
CID 71778043
2-(3-azaspiro[5.5]undecan-9-yl)ethanamine
CID 59505517
2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
CID 105061330
1-amino-4-piperidin-4-ylbutan-2-one
CID 56994536
ethane;4-propylpiperidine
CID 142071399

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylethylsulfanyl)ethanamine?
The IUPAC name of 2-(2-piperidin-4-ylethylsulfanyl)ethanamine (CID 105061316) is 2-(2-piperidin-4-ylethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2-piperidin-4-ylethylsulfanyl)ethanamine?
The canonical SMILES for 2-(2-piperidin-4-ylethylsulfanyl)ethanamine is NCCSCCC1CCNCC1.
What is the InChIKey of 2-(2-piperidin-4-ylethylsulfanyl)ethanamine?
The InChIKey is PTQNGXRADUXRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c10-4-8-12-7-3-9-1-5-11-6-2-9/h9,11H,1-8,10H2.
What are the key properties of 2-(2-piperidin-4-ylethylsulfanyl)ethanamine?
2-(2-piperidin-4-ylethylsulfanyl)ethanamine has a molecular weight of 188.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylethylsulfanyl)ethanamine is sourced from PubChem (CID 105061316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).