1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine

C11H18N2S — CID 102926365

IUPAC1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
SMILESCNC(C)CSc1cc(C)cc(C)n1
InChIInChI=1S/C11H18N2S/c1-8-5-9(2)13-11(6-8)14-7-10(3)12-4/h5-6,10,12H,7H2,1-4H3
InChIKeyIJNXQGNIHQFXAO-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.40
Rot. Bonds4

About 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine

1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine (PubChem CID 102926365) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
PubChem CID102926365
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
SMILESCNC(C)CSc1cc(C)cc(C)n1
InChIInChI=1S/C11H18N2S/c1-8-5-9(2)13-11(6-8)14-7-10(3)12-4/h5-6,10,12H,7H2,1-4H3
InChIKeyIJNXQGNIHQFXAO-UHFFFAOYSA-N
XLogP2.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine
CID 102926419
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
CID 102926370
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)ethanamine
CID 102926336
1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 102926585
1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 102926366
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 102926592
1-(3,5-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102926515
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine
CID 102926363
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine
CID 102926475
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 102926409
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-phenylpropanenitrile
CID 102924899

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine?
The IUPAC name of 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine (CID 102926365) is 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine is CNC(C)CSc1cc(C)cc(C)n1.
What is the InChIKey of 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine?
The InChIKey is IJNXQGNIHQFXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-5-9(2)13-11(6-8)14-7-10(3)12-4/h5-6,10,12H,7H2,1-4H3.
What are the key properties of 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine?
1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine has a molecular weight of 210.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine is sourced from PubChem (CID 102926365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).