1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine

C11H21NO3S — CID 102649580

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(C1=CCCCO1)C(C)S(C)(=O)=O
InChIInChI=1S/C11H21NO3S/c1-4-12-11(9(2)16(3,13)14)10-7-5-6-8-15-10/h7,9,11-12H,4-6,8H2,1-3H3
InChIKeyWRNDCUPRSGLYPB-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.09
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine (PubChem CID 102649580) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
PubChem CID102649580
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(C1=CCCCO1)C(C)S(C)(=O)=O
InChIInChI=1S/C11H21NO3S/c1-4-12-11(9(2)16(3,13)14)10-7-5-6-8-15-10/h7,9,11-12H,4-6,8H2,1-3H3
InChIKeyWRNDCUPRSGLYPB-UHFFFAOYSA-N
XLogP1.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 102653734
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine
CID 102648061
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine
CID 102647801
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518585
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methoxybutan-1-amine
CID 102652185
N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 102648838
1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 102647764
1-(cyclohepten-1-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 113422022
N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102649448

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine (CID 102649580) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine is CCNC(C1=CCCCO1)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The InChIKey is WRNDCUPRSGLYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-4-12-11(9(2)16(3,13)14)10-7-5-6-8-15-10/h7,9,11-12H,4-6,8H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine has a molecular weight of 247.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 102649580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).