1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine

C12H23NO3S — CID 105033154

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(C1=COCCC1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H23NO3S/c1-5-13-11(10-7-6-8-16-9-10)12(2,3)17(4,14)15/h9,11,13H,5-8H2,1-4H3
InChIKeyDACMAQBSBPJJAV-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.48
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 105033154) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID105033154
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(C1=COCCC1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H23NO3S/c1-5-13-11(10-7-6-8-16-9-10)12(2,3)17(4,14)15/h9,11,13H,5-8H2,1-4H3
InChIKeyDACMAQBSBPJJAV-UHFFFAOYSA-N
XLogP1.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312262
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105033129
N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105179246
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 113370610
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 105033009
N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
CID 113370529
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 116661734
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine
CID 105033012
1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115861858
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 113370645
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine
CID 113370642
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475828

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine (CID 105033154) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine is CCNC(C1=COCCC1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is DACMAQBSBPJJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-5-13-11(10-7-6-8-16-9-10)12(2,3)17(4,14)15/h9,11,13H,5-8H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 1.48, 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-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 105033154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).