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

C14H25NOS — CID 102647539

IUPAC2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
SMILESCNC(CSC1CCCCC1)C1=CCCCO1
InChIInChI=1S/C14H25NOS/c1-15-13(14-9-5-6-10-16-14)11-17-12-7-3-2-4-8-12/h9,12-13,15H,2-8,10-11H2,1H3
InChIKeyBWARRVLTYAKLGN-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.33
Rot. Bonds5

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

2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine (PubChem CID 102647539) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
PubChem CID102647539
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
SMILESCNC(CSC1CCCCC1)C1=CCCCO1
InChIInChI=1S/C14H25NOS/c1-15-13(14-9-5-6-10-16-14)11-17-12-7-3-2-4-8-12/h9,12-13,15H,2-8,10-11H2,1H3
InChIKeyBWARRVLTYAKLGN-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.33
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)-N-methylethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine (CID 102647539) is 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine is CNC(CSC1CCCCC1)C1=CCCCO1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
The InChIKey is BWARRVLTYAKLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-15-13(14-9-5-6-10-16-14)11-17-12-7-3-2-4-8-12/h9,12-13,15H,2-8,10-11H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine has a molecular weight of 255.43 g/mol, XLogP of 3.33, 5 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)-N-methylethanamine is sourced from PubChem (CID 102647539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).