N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine

C12H20N2S — CID 62578356

IUPACN-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine
SMILESCCCC(C)NCCSc1ccccn1
InChIInChI=1S/C12H20N2S/c1-3-6-11(2)13-9-10-15-12-7-4-5-8-14-12/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3
InChIKeyLGZSNDQWGLXDJM-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.95
Rot. Bonds7

About N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine

N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine (PubChem CID 62578356) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine.

Molecular Properties

Compound NameN-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine
PubChem CID62578356
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine
SMILESCCCC(C)NCCSc1ccccn1
InChIInChI=1S/C12H20N2S/c1-3-6-11(2)13-9-10-15-12-7-4-5-8-14-12/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3
InChIKeyLGZSNDQWGLXDJM-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.95
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

N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine
CID 64649505
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935
N-ethyl-2-pyridin-2-ylsulfanylethanamine
CID 53211548
2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol
CID 64807026
1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine
CID 62579205
N-[2-(3-methylphenyl)sulfanylethyl]pentan-2-amine
CID 62580487
N-[1-(2-pyridin-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286336
N-(2-methylpropyl)-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578353
ethyl 3-methyl-5-(1-pyridin-2-ylsulfanylpropan-2-ylamino)pentanoate
CID 123744709
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
2-(1-phenylbutylsulfanyl)pyridine
CID 22764663
2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline
CID 62578988

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine?
The IUPAC name of N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine (CID 62578356) is N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine.
What is the SMILES notation for N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine?
The canonical SMILES for N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine is CCCC(C)NCCSc1ccccn1.
What is the InChIKey of N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine?
The InChIKey is LGZSNDQWGLXDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-6-11(2)13-9-10-15-12-7-4-5-8-14-12/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3.
What are the key properties of N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine?
N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine has a molecular weight of 224.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine is sourced from PubChem (CID 62578356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).