2-(furan-2-yl)-3-methylsulfonylpropan-1-amine

C8H13NO3S — CID 102567549

IUPAC2-(furan-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CC(CN)c1ccco1
InChIInChI=1S/C8H13NO3S/c1-13(10,11)6-7(5-9)8-3-2-4-12-8/h2-4,7H,5-6,9H2,1H3
InChIKeyYWJUGBIYTZCSGN-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.37
Rot. Bonds4

About 2-(furan-2-yl)-3-methylsulfonylpropan-1-amine

2-(furan-2-yl)-3-methylsulfonylpropan-1-amine (PubChem CID 102567549) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-3-methylsulfonylpropan-1-amine
PubChem CID102567549
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-(furan-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CC(CN)c1ccco1
InChIInChI=1S/C8H13NO3S/c1-13(10,11)6-7(5-9)8-3-2-4-12-8/h2-4,7H,5-6,9H2,1H3
InChIKeyYWJUGBIYTZCSGN-UHFFFAOYSA-N
XLogP0.37
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 2-(furan-2-yl)-3-methylsulfonylpropan-1-amine (CID 102567549) is 2-(furan-2-yl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 2-(furan-2-yl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 2-(furan-2-yl)-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CC(CN)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-3-methylsulfonylpropan-1-amine?
The InChIKey is YWJUGBIYTZCSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-13(10,11)6-7(5-9)8-3-2-4-12-8/h2-4,7H,5-6,9H2,1H3.
What are the key properties of 2-(furan-2-yl)-3-methylsulfonylpropan-1-amine?
2-(furan-2-yl)-3-methylsulfonylpropan-1-amine has a molecular weight of 203.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 102567549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).