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

C12H21NOS — CID 102647535

IUPAC2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CSC1CCCC1)C1=CCCCO1
InChIInChI=1S/C12H21NOS/c13-11(12-7-3-4-8-14-12)9-15-10-5-1-2-6-10/h7,10-11H,1-6,8-9,13H2
InChIKeySNZPHPKEGDLFGW-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.68
Rot. Bonds4

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

2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (PubChem CID 102647535) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
PubChem CID102647535
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CSC1CCCC1)C1=CCCCO1
InChIInChI=1S/C12H21NOS/c13-11(12-7-3-4-8-14-12)9-15-10-5-1-2-6-10/h7,10-11H,1-6,8-9,13H2
InChIKeySNZPHPKEGDLFGW-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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (CID 102647535) is 2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is NC(CSC1CCCC1)C1=CCCCO1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The InChIKey is SNZPHPKEGDLFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c13-11(12-7-3-4-8-14-12)9-15-10-5-1-2-6-10/h7,10-11H,1-6,8-9,13H2.
What are the key properties of 2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
2-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-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-cyclopentylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is sourced from PubChem (CID 102647535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).