[3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine

C11H16N2S — CID 166862330

IUPAC[3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine
SMILESNCc1ncccc1SCC1CCC1
InChIInChI=1S/C11H16N2S/c12-7-10-11(5-2-6-13-10)14-8-9-3-1-4-9/h2,5-6,9H,1,3-4,7-8,12H2
InChIKeyGUXIBVUWINOVRE-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.43
Rot. Bonds4

About [3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine

[3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine (PubChem CID 166862330) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is [3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine
PubChem CID166862330
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name[3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine
SMILESNCc1ncccc1SCC1CCC1
InChIInChI=1S/C11H16N2S/c12-7-10-11(5-2-6-13-10)14-8-9-3-1-4-9/h2,5-6,9H,1,3-4,7-8,12H2
InChIKeyGUXIBVUWINOVRE-UHFFFAOYSA-N
XLogP2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine (CID 166862330) is [3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine is NCc1ncccc1SCC1CCC1.
What is the InChIKey of [3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine?
The InChIKey is GUXIBVUWINOVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c12-7-10-11(5-2-6-13-10)14-8-9-3-1-4-9/h2,5-6,9H,1,3-4,7-8,12H2.
What are the key properties of [3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine?
[3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine has a molecular weight of 208.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclobutylmethylsulfanyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 166862330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).