2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine

C13H22N2S — CID 102926363

IUPAC2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine
SMILESCCC(NC)C(C)Sc1cc(C)cc(C)n1
InChIInChI=1S/C13H22N2S/c1-6-12(14-5)11(4)16-13-8-9(2)7-10(3)15-13/h7-8,11-12,14H,6H2,1-5H3
InChIKeyOFLMRFAYTFHOSK-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.18
Rot. Bonds5

About 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine (PubChem CID 102926363) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine
PubChem CID102926363
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine
SMILESCCC(NC)C(C)Sc1cc(C)cc(C)n1
InChIInChI=1S/C13H22N2S/c1-6-12(14-5)11(4)16-13-8-9(2)7-10(3)15-13/h7-8,11-12,14H,6H2,1-5H3
InChIKeyOFLMRFAYTFHOSK-UHFFFAOYSA-N
XLogP3.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.18
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
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 102926409
1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
CID 102926365
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
CID 102926370
2-(3,4-dimethylphenyl)sulfanyl-N-methylpentan-3-amine
CID 64650723
N-methyl-2-pyrazin-2-ylsulfanylpentan-3-amine
CID 64628639
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine
CID 102925919
N-methyl-2-pyrimidin-4-ylsulfanylpentan-3-amine
CID 64627855
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine
CID 102925906
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 102925681
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)ethanamine
CID 102926336
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine
CID 102926475

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine (CID 102926363) is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine is CCC(NC)C(C)Sc1cc(C)cc(C)n1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine?
The InChIKey is OFLMRFAYTFHOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-6-12(14-5)11(4)16-13-8-9(2)7-10(3)15-13/h7-8,11-12,14H,6H2,1-5H3.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine?
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine has a molecular weight of 238.40 g/mol, XLogP of 3.18, 5 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]-N-methylpentan-3-amine is sourced from PubChem (CID 102926363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).