2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol

C11H18N2S2 — CID 102450368

IUPAC2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol
SMILESCSCCN(CCS)Cc1ccccn1
InChIInChI=1S/C11H18N2S2/c1-15-9-7-13(6-8-14)10-11-4-2-3-5-12-11/h2-5,14H,6-10H2,1H3
InChIKeyGXPVSPFDVYXMMZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.18
Rot. Bonds7

About 2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol

2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol (PubChem CID 102450368) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol.

Molecular Properties

Compound Name2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol
PubChem CID102450368
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol
SMILESCSCCN(CCS)Cc1ccccn1
InChIInChI=1S/C11H18N2S2/c1-15-9-7-13(6-8-14)10-11-4-2-3-5-12-11/h2-5,14H,6-10H2,1H3
InChIKeyGXPVSPFDVYXMMZ-UHFFFAOYSA-N
XLogP2.18
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate
CID 139133220
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-[(4-tert-butylphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanethiol
CID 15532866
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 140747992
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
2-(2-methylsulfanylethylsulfanylmethyl)pyridine
CID 175223046
tetrakis(dimethylazanide);bis(2-[pyridin-2-ylmethyl(2-trimethylsilylazanidylethyl)amino]ethyl-trimethylsilylazanide);bis(zirconium(4+))
CID 139132885

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol?
The IUPAC name of 2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol (CID 102450368) is 2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol.
What is the SMILES notation for 2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol?
The canonical SMILES for 2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol is CSCCN(CCS)Cc1ccccn1.
What is the InChIKey of 2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol?
The InChIKey is GXPVSPFDVYXMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-15-9-7-13(6-8-14)10-11-4-2-3-5-12-11/h2-5,14H,6-10H2,1H3.
What are the key properties of 2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol?
2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol has a molecular weight of 242.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol is sourced from PubChem (CID 102450368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).