4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine

C10H16N2O3S2 — CID 86775099

IUPAC4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine
SMILESCS(=O)(=O)CCN1CCOC(c2nccs2)C1
InChIInChI=1S/C10H16N2O3S2/c1-17(13,14)7-4-12-3-5-15-9(8-12)10-11-2-6-16-10/h2,6,9H,3-5,7-8H2,1H3
InChIKeyBZWYZFKHTNTVLZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.56
Rot. Bonds4

About 4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine

4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine (PubChem CID 86775099) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine
PubChem CID86775099
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine
SMILESCS(=O)(=O)CCN1CCOC(c2nccs2)C1
InChIInChI=1S/C10H16N2O3S2/c1-17(13,14)7-4-12-3-5-15-9(8-12)10-11-2-6-16-10/h2,6,9H,3-5,7-8H2,1H3
InChIKeyBZWYZFKHTNTVLZ-UHFFFAOYSA-N
XLogP0.56
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine (CID 86775099) is 4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine is CS(=O)(=O)CCN1CCOC(c2nccs2)C1.
What is the InChIKey of 4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine?
The InChIKey is BZWYZFKHTNTVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-17(13,14)7-4-12-3-5-15-9(8-12)10-11-2-6-16-10/h2,6,9H,3-5,7-8H2,1H3.
What are the key properties of 4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine?
4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine has a molecular weight of 276.38 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethyl)-2-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 86775099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).