N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

C19H19N3S — CID 134442602

IUPACN-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1ccc(SN(Cc2ccccn2)Cc2ccccn2)cc1
InChIInChI=1S/C19H19N3S/c1-16-8-10-19(11-9-16)23-22(14-17-6-2-4-12-20-17)15-18-7-3-5-13-21-18/h2-13H,14-15H2,1H3
InChIKeyUMZRMMYGCBLBGU-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.49
Rot. Bonds6

About N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 134442602) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID134442602
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC NameN-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1ccc(SN(Cc2ccccn2)Cc2ccccn2)cc1
InChIInChI=1S/C19H19N3S/c1-16-8-10-19(11-9-16)23-22(14-17-6-2-4-12-20-17)15-18-7-3-5-13-21-18/h2-13H,14-15H2,1H3
InChIKeyUMZRMMYGCBLBGU-UHFFFAOYSA-N
XLogP4.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 143251058
2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 144884135
N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 86806985
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
CID 88902013
CID 88902013
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
N-(4-methylphenyl)sulfanyl-N-propylpropan-1-amine
CID 143873658
(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 22115004

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 134442602) is N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is Cc1ccc(SN(Cc2ccccn2)Cc2ccccn2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is UMZRMMYGCBLBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c1-16-8-10-19(11-9-16)23-22(14-17-6-2-4-12-20-17)15-18-7-3-5-13-21-18/h2-13H,14-15H2,1H3.
What are the key properties of N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 321.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 134442602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).