1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine

C9H14BrNO3S — CID 115861480

IUPAC1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(C(N)c1occc1Br)S(C)(=O)=O
InChIInChI=1S/C9H14BrNO3S/c1-9(2,15(3,12)13)8(11)7-6(10)4-5-14-7/h4-5,8H,11H2,1-3H3
InChIKeyYOTUACSHFJVLMX-UHFFFAOYSA-N
MW296.19 g/mol
LogP1.87
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine

1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 115861480) has the molecular formula C9H14BrNO3S and a molecular weight of 296.19 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID115861480
Molecular FormulaC9H14BrNO3S
Molecular Weight296.19 g/mol
Exact Mass294.99
IUPAC Name1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(C(N)c1occc1Br)S(C)(=O)=O
InChIInChI=1S/C9H14BrNO3S/c1-9(2,15(3,12)13)8(11)7-6(10)4-5-14-7/h4-5,8H,11H2,1-3H3
InChIKeyYOTUACSHFJVLMX-UHFFFAOYSA-N
XLogP1.87
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine (CID 115861480) is 1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine is CC(C)(C(N)c1occc1Br)S(C)(=O)=O.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is YOTUACSHFJVLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO3S/c1-9(2,15(3,12)13)8(11)7-6(10)4-5-14-7/h4-5,8H,11H2,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine?
1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 296.19 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115861480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).