N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine

C13H21NOS2 — CID 83183374

IUPACN-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)C1SCCSC1C
InChIInChI=1S/C13H21NOS2/c1-3-14-12(9-11-5-4-6-15-11)13-10(2)16-7-8-17-13/h4-6,10,12-14H,3,7-9H2,1-2H3
InChIKeyBNBNJKOMFJZNRR-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.04
Rot. Bonds5

About N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine

N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine (PubChem CID 83183374) has the molecular formula C13H21NOS2 and a molecular weight of 271.45 g/mol. Its IUPAC name is N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
PubChem CID83183374
Molecular FormulaC13H21NOS2
Molecular Weight271.45 g/mol
Exact Mass271.11
IUPAC NameN-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)C1SCCSC1C
InChIInChI=1S/C13H21NOS2/c1-3-14-12(9-11-5-4-6-15-11)13-10(2)16-7-8-17-13/h4-6,10,12-14H,3,7-9H2,1-2H3
InChIKeyBNBNJKOMFJZNRR-UHFFFAOYSA-N
XLogP3.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(furan-2-yl)-1-(2-methylcyclopentyl)ethanamine
CID 107190614
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine
CID 115387062
N-ethyl-2-(furan-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105029658
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-phenylpropan-1-amine
CID 115387134
1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029389
2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387042
N-ethyl-1-(3-ethylcyclohexyl)-2-(furan-2-yl)ethanamine
CID 83176158
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hex-4-yn-1-amine
CID 104807202
N-[furan-3-yl-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 115387178
N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
CID 62999037
N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine
CID 63561552
1-cycloheptyl-2-(furan-2-yl)-N-methylethanamine
CID 83175244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine (CID 83183374) is N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine is CCNC(Cc1ccco1)C1SCCSC1C.
What is the InChIKey of N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The InChIKey is BNBNJKOMFJZNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS2/c1-3-14-12(9-11-5-4-6-15-11)13-10(2)16-7-8-17-13/h4-6,10,12-14H,3,7-9H2,1-2H3.
What are the key properties of N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine has a molecular weight of 271.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine is sourced from PubChem (CID 83183374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).