1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine

C10H19NO3S — CID 102653734

IUPAC1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(C1=CCCO1)C(C)S(C)(=O)=O
InChIInChI=1S/C10H19NO3S/c1-4-11-10(8(2)15(3,12)13)9-6-5-7-14-9/h6,8,10-11H,4-5,7H2,1-3H3
InChIKeyLPBBPCNRQGQKMA-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.70
Rot. Bonds5

About 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine

1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine (PubChem CID 102653734) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
PubChem CID102653734
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(C1=CCCO1)C(C)S(C)(=O)=O
InChIInChI=1S/C10H19NO3S/c1-4-11-10(8(2)15(3,12)13)9-6-5-7-14-9/h6,8,10-11H,4-5,7H2,1-3H3
InChIKeyLPBBPCNRQGQKMA-UHFFFAOYSA-N
XLogP0.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 102649580
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methoxybutan-1-amine
CID 102652185
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518585
1-(2,3-dihydrofuran-5-yl)-N,2-dimethylbutan-1-amine
CID 102651545
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine
CID 102653276
1-(2,3-dihydrofuran-5-yl)-2-methoxy-N-propylpropan-1-amine
CID 102651913
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102653222
1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
CID 102653271
N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518932
N-[2,3-dihydrofuran-5-yl(1,3-thiazol-4-yl)methyl]ethanamine
CID 102651999
N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 102653774
N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 115789749

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine (CID 102653734) is 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine is CCNC(C1=CCCO1)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The InChIKey is LPBBPCNRQGQKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-4-11-10(8(2)15(3,12)13)9-6-5-7-14-9/h6,8,10-11H,4-5,7H2,1-3H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine?
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine has a molecular weight of 233.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 102653734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).