2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine

C11H21NOS — CID 102647531

IUPAC2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESCCC(C)SCC(N)C1=CCCCO1
InChIInChI=1S/C11H21NOS/c1-3-9(2)14-8-10(12)11-6-4-5-7-13-11/h6,9-10H,3-5,7-8,12H2,1-2H3
InChIKeyLRTBKYVTVGSNEF-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.54
Rot. Bonds5

About 2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine

2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (PubChem CID 102647531) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
PubChem CID102647531
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESCCC(C)SCC(N)C1=CCCCO1
InChIInChI=1S/C11H21NOS/c1-3-9(2)14-8-10(12)11-6-4-5-7-13-11/h6,9-10H,3-5,7-8,12H2,1-2H3
InChIKeyLRTBKYVTVGSNEF-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647524
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
[1-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentyl]hydrazine
CID 102650409
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine
CID 102647793
1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-amine
CID 102651213
[1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethyl]hydrazine
CID 102649993
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanamine
CID 102647873
1-(2,3-dihydrofuran-5-yl)pentan-1-amine
CID 102651898
2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine
CID 102651642
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine
CID 130604666
3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 102649304
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine
CID 102648095

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (CID 102647531) is 2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is CCC(C)SCC(N)C1=CCCCO1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The InChIKey is LRTBKYVTVGSNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-3-9(2)14-8-10(12)11-6-4-5-7-13-11/h6,9-10H,3-5,7-8,12H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine has a molecular weight of 215.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is sourced from PubChem (CID 102647531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).