(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine

C11H24N2O2S2 — CID 112736892

IUPAC(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1C[C@H](N)C(C)C
InChIInChI=1S/C11H24N2O2S2/c1-4-17(14,15)11-8-16-6-5-13(11)7-10(12)9(2)3/h9-11H,4-8,12H2,1-3H3/t10-,11?/m0/s1
InChIKeyFJULYOIVLFABFU-VUWPPUDQSA-N
MW280.46 g/mol
LogP0.78
Rot. Bonds5

About (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine

(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine (PubChem CID 112736892) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
PubChem CID112736892
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Name(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1C[C@H](N)C(C)C
InChIInChI=1S/C11H24N2O2S2/c1-4-17(14,15)11-8-16-6-5-13(11)7-10(12)9(2)3/h9-11H,4-8,12H2,1-3H3/t10-,11?/m0/s1
InChIKeyFJULYOIVLFABFU-VUWPPUDQSA-N
XLogP0.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine?
The IUPAC name of (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine (CID 112736892) is (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine?
The canonical SMILES for (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine is CCS(=O)(=O)C1CSCCN1C[C@H](N)C(C)C.
What is the InChIKey of (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine?
The InChIKey is FJULYOIVLFABFU-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-4-17(14,15)11-8-16-6-5-13(11)7-10(12)9(2)3/h9-11H,4-8,12H2,1-3H3/t10-,11?/m0/s1.
What are the key properties of (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine?
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 112736892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).