N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine

C12H19NO2S — CID 64609908

IUPACN-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine
SMILESCCNC1CCOCC1SCc1ccco1
InChIInChI=1S/C12H19NO2S/c1-2-13-11-5-7-14-8-12(11)16-9-10-4-3-6-15-10/h3-4,6,11-13H,2,5,7-9H2,1H3
InChIKeyWOBIMJZEZQKPEF-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.28
Rot. Bonds5

About N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine

N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine (PubChem CID 64609908) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine
PubChem CID64609908
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine
SMILESCCNC1CCOCC1SCc1ccco1
InChIInChI=1S/C12H19NO2S/c1-2-13-11-5-7-14-8-12(11)16-9-10-4-3-6-15-10/h3-4,6,11-13H,2,5,7-9H2,1H3
InChIKeyWOBIMJZEZQKPEF-UHFFFAOYSA-N
XLogP2.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine
CID 64609685
N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine
CID 64609900
3-(furan-2-ylmethylsulfanyl)oxan-4-amine
CID 64610716
2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64610724
N-(furan-2-ylmethyl)-3-methyloxan-4-amine
CID 130173705
2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
CID 64609500
N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine
CID 64628532
N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine
CID 106496921
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819
N-[2-(furan-2-ylmethylsulfanyl)ethyl]oxan-4-amine
CID 63098847
N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide
CID 64648380
N-ethyl-1-(furan-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103987352

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine?
The IUPAC name of N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine (CID 64609908) is N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine.
What is the SMILES notation for N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine?
The canonical SMILES for N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine is CCNC1CCOCC1SCc1ccco1.
What is the InChIKey of N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine?
The InChIKey is WOBIMJZEZQKPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-2-13-11-5-7-14-8-12(11)16-9-10-4-3-6-15-10/h3-4,6,11-13H,2,5,7-9H2,1H3.
What are the key properties of N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine?
N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine has a molecular weight of 241.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine is sourced from PubChem (CID 64609908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).