1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine

C13H26N2S — CID 114628856

IUPAC1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
SMILESCCC1(NCCSC2CCNCC2)CCC1
InChIInChI=1S/C13H26N2S/c1-2-13(6-3-7-13)15-10-11-16-12-4-8-14-9-5-12/h12,14-15H,2-11H2,1H3
InChIKeyRCSOAJWJGXLJQI-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.39
Rot. Bonds6

About 1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine

1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine (PubChem CID 114628856) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
PubChem CID114628856
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
SMILESCCC1(NCCSC2CCNCC2)CCC1
InChIInChI=1S/C13H26N2S/c1-2-13(6-3-7-13)15-10-11-16-12-4-8-14-9-5-12/h12,14-15H,2-11H2,1H3
InChIKeyRCSOAJWJGXLJQI-UHFFFAOYSA-N
XLogP2.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.39
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

1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628852
2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628750
2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine
CID 114628792
1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine
CID 104668682
2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628849
N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine
CID 114628548
3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628845
2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine
CID 114628486
N-butyl-1-ethylcyclohexan-1-amine
CID 163975014
6-[(1-ethylcyclobutyl)amino]hexan-1-ol
CID 107703649
(2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine
CID 104967759
4-(2-fluoroethylsulfanyl)piperidine
CID 84651739

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine?
The IUPAC name of 1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine (CID 114628856) is 1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine is CCC1(NCCSC2CCNCC2)CCC1.
What is the InChIKey of 1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine?
The InChIKey is RCSOAJWJGXLJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-2-13(6-3-7-13)15-10-11-16-12-4-8-14-9-5-12/h12,14-15H,2-11H2,1H3.
What are the key properties of 1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine?
1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine has a molecular weight of 242.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine is sourced from PubChem (CID 114628856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).