3-(2-methoxyphenyl)sulfinyloxan-4-amine

C12H17NO3S — CID 64659409

IUPAC3-(2-methoxyphenyl)sulfinyloxan-4-amine
SMILESCOc1ccccc1S(=O)C1COCCC1N
InChIInChI=1S/C12H17NO3S/c1-15-10-4-2-3-5-11(10)17(14)12-8-16-7-6-9(12)13/h2-5,9,12H,6-8,13H2,1H3
InChIKeyDXRBPMKSTPVDED-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.92
Rot. Bonds3

About 3-(2-methoxyphenyl)sulfinyloxan-4-amine

3-(2-methoxyphenyl)sulfinyloxan-4-amine (PubChem CID 64659409) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)sulfinyloxan-4-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)sulfinyloxan-4-amine
PubChem CID64659409
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-(2-methoxyphenyl)sulfinyloxan-4-amine
SMILESCOc1ccccc1S(=O)C1COCCC1N
InChIInChI=1S/C12H17NO3S/c1-15-10-4-2-3-5-11(10)17(14)12-8-16-7-6-9(12)13/h2-5,9,12H,6-8,13H2,1H3
InChIKeyDXRBPMKSTPVDED-UHFFFAOYSA-N
XLogP0.92
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)sulfinyloxan-4-amine?
The IUPAC name of 3-(2-methoxyphenyl)sulfinyloxan-4-amine (CID 64659409) is 3-(2-methoxyphenyl)sulfinyloxan-4-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)sulfinyloxan-4-amine?
The canonical SMILES for 3-(2-methoxyphenyl)sulfinyloxan-4-amine is COc1ccccc1S(=O)C1COCCC1N.
What is the InChIKey of 3-(2-methoxyphenyl)sulfinyloxan-4-amine?
The InChIKey is DXRBPMKSTPVDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-15-10-4-2-3-5-11(10)17(14)12-8-16-7-6-9(12)13/h2-5,9,12H,6-8,13H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)sulfinyloxan-4-amine?
3-(2-methoxyphenyl)sulfinyloxan-4-amine has a molecular weight of 255.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)sulfinyloxan-4-amine is sourced from PubChem (CID 64659409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).