N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine

C14H16N2S — CID 102049731

IUPACN-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine
SMILESc1ccc(CSCNCc2ccccn2)cc1
InChIInChI=1S/C14H16N2S/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16-14/h1-9,15H,10-12H2
InChIKeyAFBZMNANJZUVPT-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.06
Rot. Bonds6

About N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine

N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine (PubChem CID 102049731) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine
PubChem CID102049731
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine
SMILESc1ccc(CSCNCc2ccccn2)cc1
InChIInChI=1S/C14H16N2S/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16-14/h1-9,15H,10-12H2
InChIKeyAFBZMNANJZUVPT-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 17294585
2-[(4-chlorophenyl)methylsulfanylmethyl]pyridine
CID 78836425
2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 100924247
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 4719779
(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 676358
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916

Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine?
The IUPAC name of N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine (CID 102049731) is N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine is c1ccc(CSCNCc2ccccn2)cc1.
What is the InChIKey of N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine?
The InChIKey is AFBZMNANJZUVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16-14/h1-9,15H,10-12H2.
What are the key properties of N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine?
N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine has a molecular weight of 244.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 102049731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).