5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine

C15H26N2S — CID 102926475

IUPAC5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine
SMILESCCCNC(C)CCCSc1cc(C)cc(C)n1
InChIInChI=1S/C15H26N2S/c1-5-8-16-13(3)7-6-9-18-15-11-12(2)10-14(4)17-15/h10-11,13,16H,5-9H2,1-4H3
InChIKeyKSYYIXFPQPFWTF-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.96
Rot. Bonds8

About 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine

5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine (PubChem CID 102926475) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine
PubChem CID102926475
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine
SMILESCCCNC(C)CCCSc1cc(C)cc(C)n1
InChIInChI=1S/C15H26N2S/c1-5-8-16-13(3)7-6-9-18-15-11-12(2)10-14(4)17-15/h10-11,13,16H,5-9H2,1-4H3
InChIKeyKSYYIXFPQPFWTF-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(propylamino)butanoate
CID 102925808
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
ethyl 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(propylamino)propanoate
CID 102925707
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine
CID 65041314
N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine
CID 64649505
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
CID 102926365
5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64619560
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine
CID 64634490
1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 102926755
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine?
The IUPAC name of 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine (CID 102926475) is 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine.
What is the SMILES notation for 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine?
The canonical SMILES for 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine is CCCNC(C)CCCSc1cc(C)cc(C)n1.
What is the InChIKey of 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine?
The InChIKey is KSYYIXFPQPFWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-8-16-13(3)7-6-9-18-15-11-12(2)10-14(4)17-15/h10-11,13,16H,5-9H2,1-4H3.
What are the key properties of 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine?
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine has a molecular weight of 266.45 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine is sourced from PubChem (CID 102926475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).