N-ethyl-2-pyridin-2-ylsulfanylethanamine

C9H14N2S — CID 53211548

IUPACN-ethyl-2-pyridin-2-ylsulfanylethanamine
SMILESCCNCCSc1ccccn1
InChIInChI=1S/C9H14N2S/c1-2-10-7-8-12-9-5-3-4-6-11-9/h3-6,10H,2,7-8H2,1H3
InChIKeyPSFZKQXLHOCTBX-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.78
Rot. Bonds5

About N-ethyl-2-pyridin-2-ylsulfanylethanamine

N-ethyl-2-pyridin-2-ylsulfanylethanamine (PubChem CID 53211548) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-ethyl-2-pyridin-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-2-pyridin-2-ylsulfanylethanamine
PubChem CID53211548
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-ethyl-2-pyridin-2-ylsulfanylethanamine
SMILESCCNCCSc1ccccn1
InChIInChI=1S/C9H14N2S/c1-2-10-7-8-12-9-5-3-4-6-11-9/h3-6,10H,2,7-8H2,1H3
InChIKeyPSFZKQXLHOCTBX-UHFFFAOYSA-N
XLogP1.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.78
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-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine
CID 62578356
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline
CID 62578988
2-pyridin-2-ylsulfanylethylcarbamic acid
CID 22357478
1-methyl-3-(2-pyridin-2-ylsulfanylethyl)thiourea
CID 110182038
N-(2-methylpropyl)-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578353
4-chloro-N-(2-pyridin-2-ylsulfanylethyl)aniline
CID 62577092
2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol
CID 64807026
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine
CID 64649505
N-ethyl-3-pyrimidin-4-ylsulfanylpropan-1-amine
CID 63698184
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pyridin-2-ylsulfanylethanamine?
The IUPAC name of N-ethyl-2-pyridin-2-ylsulfanylethanamine (CID 53211548) is N-ethyl-2-pyridin-2-ylsulfanylethanamine.
What is the SMILES notation for N-ethyl-2-pyridin-2-ylsulfanylethanamine?
The canonical SMILES for N-ethyl-2-pyridin-2-ylsulfanylethanamine is CCNCCSc1ccccn1.
What is the InChIKey of N-ethyl-2-pyridin-2-ylsulfanylethanamine?
The InChIKey is PSFZKQXLHOCTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-2-10-7-8-12-9-5-3-4-6-11-9/h3-6,10H,2,7-8H2,1H3.
What are the key properties of N-ethyl-2-pyridin-2-ylsulfanylethanamine?
N-ethyl-2-pyridin-2-ylsulfanylethanamine has a molecular weight of 182.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyridin-2-ylsulfanylethanamine is sourced from PubChem (CID 53211548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).