4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine

C12H24N2O3S2 — CID 66378347

IUPAC4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine
SMILESCCS(=O)(=O)C1CSCCN1CC1(C)COCC1N
InChIInChI=1S/C12H24N2O3S2/c1-3-19(15,16)11-7-18-5-4-14(11)8-12(2)9-17-6-10(12)13/h10-11H,3-9,13H2,1-2H3
InChIKeyBHOXYBGTPXNDST-UHFFFAOYSA-N
MW308.47 g/mol
LogP0.16
Rot. Bonds4

About 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine

4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine (PubChem CID 66378347) has the molecular formula C12H24N2O3S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine
PubChem CID66378347
Molecular FormulaC12H24N2O3S2
Molecular Weight308.47 g/mol
Exact Mass308.12
IUPAC Name4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine
SMILESCCS(=O)(=O)C1CSCCN1CC1(C)COCC1N
InChIInChI=1S/C12H24N2O3S2/c1-3-19(15,16)11-7-18-5-4-14(11)8-12(2)9-17-6-10(12)13/h10-11H,3-9,13H2,1-2H3
InChIKeyBHOXYBGTPXNDST-UHFFFAOYSA-N
XLogP0.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine?
The IUPAC name of 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine (CID 66378347) is 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine.
What is the SMILES notation for 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine?
The canonical SMILES for 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine is CCS(=O)(=O)C1CSCCN1CC1(C)COCC1N.
What is the InChIKey of 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine?
The InChIKey is BHOXYBGTPXNDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S2/c1-3-19(15,16)11-7-18-5-4-14(11)8-12(2)9-17-6-10(12)13/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine?
4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine has a molecular weight of 308.47 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine is sourced from PubChem (CID 66378347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).