(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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Related Compounds

3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 112736889
1-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-2-amine
CID 66375830
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
CID 66376993
5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine
CID 104682301
1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine
CID 66377574
4-(2,2-diethoxyethyl)-3-ethylsulfonylthiomorpholine
CID 66376930
3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine
CID 66377137
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
CID 66376796
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368769
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487

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).