[3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine

C12H18N2S — CID 83822926

IUPAC[3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine
SMILESCc1cccc(C2(CN)CCCSC2)n1
InChIInChI=1S/C12H18N2S/c1-10-4-2-5-11(14-10)12(8-13)6-3-7-15-9-12/h2,4-5H,3,6-9,13H2,1H3
InChIKeyNFNVYVZKBNWUSM-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.11
Rot. Bonds2

About [3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine

[3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine (PubChem CID 83822926) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is [3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine.

Molecular Properties

Compound Name[3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine
PubChem CID83822926
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name[3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine
SMILESCc1cccc(C2(CN)CCCSC2)n1
InChIInChI=1S/C12H18N2S/c1-10-4-2-5-11(14-10)12(8-13)6-3-7-15-9-12/h2,4-5H,3,6-9,13H2,1H3
InChIKeyNFNVYVZKBNWUSM-UHFFFAOYSA-N
XLogP2.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine?
The IUPAC name of [3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine (CID 83822926) is [3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine.
What is the SMILES notation for [3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine?
The canonical SMILES for [3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine is Cc1cccc(C2(CN)CCCSC2)n1.
What is the InChIKey of [3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine?
The InChIKey is NFNVYVZKBNWUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-10-4-2-5-11(14-10)12(8-13)6-3-7-15-9-12/h2,4-5H,3,6-9,13H2,1H3.
What are the key properties of [3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine?
[3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methyl-2-pyridinyl)thian-3-yl]methanamine is sourced from PubChem (CID 83822926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).