2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine

C12H21NOS — CID 102651642

IUPAC2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine
SMILESNC(CSC1CCCCC1)C1=CCCO1
InChIInChI=1S/C12H21NOS/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h7,10-11H,1-6,8-9,13H2
InChIKeyUHEQBOZHVIUHKK-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.68
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine

2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine (PubChem CID 102651642) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine
PubChem CID102651642
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine
SMILESNC(CSC1CCCCC1)C1=CCCO1
InChIInChI=1S/C12H21NOS/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h7,10-11H,1-6,8-9,13H2
InChIKeyUHEQBOZHVIUHKK-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine
CID 102647512
1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine
CID 102647516
1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine
CID 102647520
2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647524
2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647531
2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647535
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647538
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
CID 102647539
3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine
CID 102647896
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-amine
CID 102649143
1-(2,3-Dihydrofuran-5-yl)-2-methylsulfanylethanamine
CID 102651456
1-(2,3-Dihydrofuran-5-yl)-2-ethylsulfanylethanamine
CID 102651614

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine (CID 102651642) is 2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine is NC(CSC1CCCCC1)C1=CCCO1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine?
The InChIKey is UHEQBOZHVIUHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h7,10-11H,1-6,8-9,13H2.
What are the key properties of 2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine?
2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine has a molecular weight of 227.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine is sourced from PubChem (CID 102651642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).