3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine

C12H24N2S — CID 114628845

IUPAC3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
SMILESCC1CC(NCCSC2CCNCC2)C1
InChIInChI=1S/C12H24N2S/c1-10-8-11(9-10)14-6-7-15-12-2-4-13-5-3-12/h10-14H,2-9H2,1H3
InChIKeyIZESCSKBHZNJEK-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.86
Rot. Bonds5

About 3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine

3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine (PubChem CID 114628845) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
PubChem CID114628845
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
SMILESCC1CC(NCCSC2CCNCC2)C1
InChIInChI=1S/C12H24N2S/c1-10-8-11(9-10)14-6-7-15-12-2-4-13-5-3-12/h10-14H,2-9H2,1H3
InChIKeyIZESCSKBHZNJEK-UHFFFAOYSA-N
XLogP1.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.86
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

2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628750
N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine
CID 84660689
1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628852
2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine
CID 114628486
N-(2-cyclopentylsulfanylethyl)cyclopropanamine
CID 63115389
1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628856
2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628849
(2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine
CID 104967759
4-(2-fluoroethylsulfanyl)piperidine
CID 84651739
N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine
CID 114628548
2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine
CID 114628792
N-[2-(azetidin-3-yl)ethyl]-3-methylcyclobutan-1-amine
CID 116680413

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine (CID 114628845) is 3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine is CC1CC(NCCSC2CCNCC2)C1.
What is the InChIKey of 3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine?
The InChIKey is IZESCSKBHZNJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10-8-11(9-10)14-6-7-15-12-2-4-13-5-3-12/h10-14H,2-9H2,1H3.
What are the key properties of 3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine?
3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine has a molecular weight of 228.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine is sourced from PubChem (CID 114628845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).