4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine

C10H15ClN2O3S2 — CID 43415396

IUPAC4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C10H15ClN2O3S2/c1-6-4-13(5-7(2)16-6)18(14,15)9-8(3)12-10(11)17-9/h6-7H,4-5H2,1-3H3
InChIKeyDGZKGADDTLEKED-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.90
Rot. Bonds2

About 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine

4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine (PubChem CID 43415396) has the molecular formula C10H15ClN2O3S2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine
PubChem CID43415396
Molecular FormulaC10H15ClN2O3S2
Molecular Weight310.83 g/mol
Exact Mass310.02
IUPAC Name4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C10H15ClN2O3S2/c1-6-4-13(5-7(2)16-6)18(14,15)9-8(3)12-10(11)17-9/h6-7H,4-5H2,1-3H3
InChIKeyDGZKGADDTLEKED-UHFFFAOYSA-N
XLogP1.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine (CID 43415396) is 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine is Cc1nc(Cl)sc1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine?
The InChIKey is DGZKGADDTLEKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S2/c1-6-4-13(5-7(2)16-6)18(14,15)9-8(3)12-10(11)17-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine?
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine has a molecular weight of 310.83 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 43415396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).