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

C13H23NOS — CID 102647538

IUPAC2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CSC1CCCCC1)C1=CCCCO1
InChIInChI=1S/C13H23NOS/c14-12(13-8-4-5-9-15-13)10-16-11-6-2-1-3-7-11/h8,11-12H,1-7,9-10,14H2
InChIKeyWQOKJMHDWNTEPU-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.07
Rot. Bonds4

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

2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (PubChem CID 102647538) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
PubChem CID102647538
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CSC1CCCCC1)C1=CCCCO1
InChIInChI=1S/C13H23NOS/c14-12(13-8-4-5-9-15-13)10-16-11-6-2-1-3-7-11/h8,11-12H,1-7,9-10,14H2
InChIKeyWQOKJMHDWNTEPU-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (CID 102647538) is 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is NC(CSC1CCCCC1)C1=CCCCO1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The InChIKey is WQOKJMHDWNTEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c14-12(13-8-4-5-9-15-13)10-16-11-6-2-1-3-7-11/h8,11-12H,1-7,9-10,14H2.
What are the key properties of 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine has a molecular weight of 241.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is sourced from PubChem (CID 102647538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).