(2-ethylsulfanyl-4-pyridinyl)methanamine

C8H12N2S — CID 43528769

IUPAC(2-ethylsulfanyl-4-pyridinyl)methanamine
SMILESCCSc1cc(CN)ccn1
InChIInChI=1S/C8H12N2S/c1-2-11-8-5-7(6-9)3-4-10-8/h3-5H,2,6,9H2,1H3
InChIKeyULNSWZJRJPRPPE-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.65
Rot. Bonds3

About (2-ethylsulfanyl-4-pyridinyl)methanamine

(2-ethylsulfanyl-4-pyridinyl)methanamine (PubChem CID 43528769) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is (2-ethylsulfanyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-ethylsulfanyl-4-pyridinyl)methanamine
PubChem CID43528769
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name(2-ethylsulfanyl-4-pyridinyl)methanamine
SMILESCCSc1cc(CN)ccn1
InChIInChI=1S/C8H12N2S/c1-2-11-8-5-7(6-9)3-4-10-8/h3-5H,2,6,9H2,1H3
InChIKeyULNSWZJRJPRPPE-UHFFFAOYSA-N
XLogP1.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanyl-4-pyridinyl)methanamine?
The IUPAC name of (2-ethylsulfanyl-4-pyridinyl)methanamine (CID 43528769) is (2-ethylsulfanyl-4-pyridinyl)methanamine.
What is the SMILES notation for (2-ethylsulfanyl-4-pyridinyl)methanamine?
The canonical SMILES for (2-ethylsulfanyl-4-pyridinyl)methanamine is CCSc1cc(CN)ccn1.
What is the InChIKey of (2-ethylsulfanyl-4-pyridinyl)methanamine?
The InChIKey is ULNSWZJRJPRPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-11-8-5-7(6-9)3-4-10-8/h3-5H,2,6,9H2,1H3.
What are the key properties of (2-ethylsulfanyl-4-pyridinyl)methanamine?
(2-ethylsulfanyl-4-pyridinyl)methanamine has a molecular weight of 168.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanyl-4-pyridinyl)methanamine is sourced from PubChem (CID 43528769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).