N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine

C14H22N2OS — CID 114056862

IUPACN-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine
SMILESCCNC(C)c1cccnc1SC1CCOCC1
InChIInChI=1S/C14H22N2OS/c1-3-15-11(2)13-5-4-8-16-14(13)18-12-6-9-17-10-7-12/h4-5,8,11-12,15H,3,6-7,9-10H2,1-2H3
InChIKeyYRNJUCRQWYNRID-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.02
Rot. Bonds5

About N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine

N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine (PubChem CID 114056862) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine
PubChem CID114056862
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine
SMILESCCNC(C)c1cccnc1SC1CCOCC1
InChIInChI=1S/C14H22N2OS/c1-3-15-11(2)13-5-4-8-16-14(13)18-12-6-9-17-10-7-12/h4-5,8,11-12,15H,3,6-7,9-10H2,1-2H3
InChIKeyYRNJUCRQWYNRID-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 55140918
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
N-ethyl-1-[2-(oxolan-2-ylmethoxy)-3-pyridinyl]ethanamine
CID 114056588
N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 55140919
2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136835784
N-[cyclopropyl-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105157241
3-chloro-2-(oxolan-3-ylsulfanyl)pyridine
CID 131089908
1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 62996267
N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
CID 66272084
N-ethyl-1-(2-pyridin-2-ylphenyl)ethanamine
CID 55244463
N-[2-[1-(ethylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272378
N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine (CID 114056862) is N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine is CCNC(C)c1cccnc1SC1CCOCC1.
What is the InChIKey of N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine?
The InChIKey is YRNJUCRQWYNRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-15-11(2)13-5-4-8-16-14(13)18-12-6-9-17-10-7-12/h4-5,8,11-12,15H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine?
N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine has a molecular weight of 266.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114056862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).