2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine

C9H14N2S — CID 102924478

IUPAC2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
SMILESCc1cc(C)nc(SCCN)c1
InChIInChI=1S/C9H14N2S/c1-7-5-8(2)11-9(6-7)12-4-3-10/h5-6H,3-4,10H2,1-2H3
InChIKeyCQNBMVFNHCJMMQ-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.75
Rot. Bonds3

About 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine (PubChem CID 102924478) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
PubChem CID102924478
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
SMILESCc1cc(C)nc(SCCN)c1
InChIInChI=1S/C9H14N2S/c1-7-5-8(2)11-9(6-7)12-4-3-10/h5-6H,3-4,10H2,1-2H3
InChIKeyCQNBMVFNHCJMMQ-UHFFFAOYSA-N
XLogP1.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 102926755
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine
CID 102925316
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide
CID 102926020
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine
CID 102925512
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
CID 102926370
2-amino-5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpentan-1-ol
CID 102926705
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pentanoic acid
CID 102924386
1-(3,5-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102926515
methyl 2-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylbutanoate
CID 102925738
2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-4,6-dimethylpyridine
CID 102925442
2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924820
N-benzyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102925922

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine (CID 102924478) is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine is Cc1cc(C)nc(SCCN)c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine?
The InChIKey is CQNBMVFNHCJMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-5-8(2)11-9(6-7)12-4-3-10/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine?
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine has a molecular weight of 182.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine is sourced from PubChem (CID 102924478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).