N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine

C10H16N2S — CID 12657317

IUPACN-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine
SMILESCCN(CC)CSc1ccccn1
InChIInChI=1S/C10H16N2S/c1-3-12(4-2)9-13-10-7-5-6-8-11-10/h5-8H,3-4,9H2,1-2H3
InChIKeyRRTCPCOVVVKHRL-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.47
Rot. Bonds5

About N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine

N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine (PubChem CID 12657317) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine
PubChem CID12657317
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine
SMILESCCN(CC)CSc1ccccn1
InChIInChI=1S/C10H16N2S/c1-3-12(4-2)9-13-10-7-5-6-8-11-10/h5-8H,3-4,9H2,1-2H3
InChIKeyRRTCPCOVVVKHRL-UHFFFAOYSA-N
XLogP2.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(2-methylbutylsulfanyl)pyridine
CID 90957639
2-(2,2-dimethylpropylsulfanyl)pyridine
CID 20674343
2-[[2,4,6-trimethyl-3,5-bis(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine
CID 11329310
N-ethyl-2-pyridin-2-ylsulfanylethanamine
CID 53211548
pyridin-2-ylsulfanylmethylboronic acid
CID 53216397
2-(1-phenylbutylsulfanyl)pyridine
CID 22764663
2-sulfidosulfanylpyridine
CID 102510943
N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide
CID 20679404
N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide
CID 47095628
N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine
CID 62578356
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine?
The IUPAC name of N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine (CID 12657317) is N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine?
The canonical SMILES for N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine is CCN(CC)CSc1ccccn1.
What is the InChIKey of N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine?
The InChIKey is RRTCPCOVVVKHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-12(4-2)9-13-10-7-5-6-8-11-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine?
N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine has a molecular weight of 196.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine is sourced from PubChem (CID 12657317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).