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

C10H15ClN2O3S2 — CID 43562748

IUPAC4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
SMILESCCC1CN(S(=O)(=O)c2sc(Cl)nc2C)CCO1
InChIInChI=1S/C10H15ClN2O3S2/c1-3-8-6-13(4-5-16-8)18(14,15)9-7(2)12-10(11)17-9/h8H,3-6H2,1-2H3
InChIKeyQQERKKQAOZWVCU-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.90
Rot. Bonds3

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

4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine (PubChem CID 43562748) 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-ethylmorpholine.

Molecular Properties

Compound Name4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
PubChem CID43562748
Molecular FormulaC10H15ClN2O3S2
Molecular Weight310.83 g/mol
Exact Mass310.02
IUPAC Name4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
SMILESCCC1CN(S(=O)(=O)c2sc(Cl)nc2C)CCO1
InChIInChI=1S/C10H15ClN2O3S2/c1-3-8-6-13(4-5-16-8)18(14,15)9-7(2)12-10(11)17-9/h8H,3-6H2,1-2H3
InChIKeyQQERKKQAOZWVCU-UHFFFAOYSA-N
XLogP1.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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-ethylmorpholine?
The IUPAC name of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine (CID 43562748) is 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine.
What is the SMILES notation for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine?
The canonical SMILES for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine is CCC1CN(S(=O)(=O)c2sc(Cl)nc2C)CCO1.
What is the InChIKey of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine?
The InChIKey is QQERKKQAOZWVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S2/c1-3-8-6-13(4-5-16-8)18(14,15)9-7(2)12-10(11)17-9/h8H,3-6H2,1-2H3.
What are the key properties of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine?
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine has a molecular weight of 310.83 g/mol, XLogP of 1.90, 3 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-ethylmorpholine is sourced from PubChem (CID 43562748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).