N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine

C11H21NOS — CID 102647366

IUPACN-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC)C1=CCCCO1
InChIInChI=1S/C11H21NOS/c1-3-7-12-10(9-14-2)11-6-4-5-8-13-11/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyGRPWQAVQUIOUFH-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.41
Rot. Bonds6

About N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine

N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine (PubChem CID 102647366) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine
PubChem CID102647366
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC)C1=CCCCO1
InChIInChI=1S/C11H21NOS/c1-3-7-12-10(9-14-2)11-6-4-5-8-13-11/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyGRPWQAVQUIOUFH-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine (CID 102647366) is N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine is CCCNC(CSC)C1=CCCCO1.
What is the InChIKey of N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine?
The InChIKey is GRPWQAVQUIOUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-3-7-12-10(9-14-2)11-6-4-5-8-13-11/h6,10,12H,3-5,7-9H2,1-2H3.
What are the key properties of N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine?
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine has a molecular weight of 215.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 102647366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).