2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine

C12H21NOS — CID 65136268

IUPAC2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine
SMILESCCNC(CSC(C)CC)c1ccoc1
InChIInChI=1S/C12H21NOS/c1-4-10(3)15-9-12(13-5-2)11-6-7-14-8-11/h6-8,10,12-13H,4-5,9H2,1-3H3
InChIKeyOACLXPDTOOYFOZ-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.46
Rot. Bonds7

About 2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine

2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine (PubChem CID 65136268) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine
PubChem CID65136268
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine
SMILESCCNC(CSC(C)CC)c1ccoc1
InChIInChI=1S/C12H21NOS/c1-4-10(3)15-9-12(13-5-2)11-6-7-14-8-11/h6-8,10,12-13H,4-5,9H2,1-3H3
InChIKeyOACLXPDTOOYFOZ-UHFFFAOYSA-N
XLogP3.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-butan-2-ylsulfanyl-1-(furan-3-yl)ethyl]hydrazine
CID 105227274
2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
CID 64613420
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66065314
1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine
CID 83175545
N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine
CID 105146707
2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine
CID 65136205
2-butan-2-ylsulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylethanamine
CID 64613831
N-ethyl-1-(furan-3-yl)-4-methoxypentan-1-amine
CID 105146658
N-ethyl-1-(furan-3-yl)-3-methoxypropan-1-amine
CID 63948181
2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64612599
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine
CID 105146625
N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine
CID 115855374

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine (CID 65136268) is 2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine is CCNC(CSC(C)CC)c1ccoc1.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine?
The InChIKey is OACLXPDTOOYFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-10(3)15-9-12(13-5-2)11-6-7-14-8-11/h6-8,10,12-13H,4-5,9H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine?
2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine has a molecular weight of 227.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine is sourced from PubChem (CID 65136268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).