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

C9H13ClN2O3S2 — CID 43562749

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
SMILESCCC1CN(S(=O)(=O)c2cnc(Cl)s2)CCO1
InChIInChI=1S/C9H13ClN2O3S2/c1-2-7-6-12(3-4-15-7)17(13,14)8-5-11-9(10)16-8/h5,7H,2-4,6H2,1H3
InChIKeyCKOGVNNEWHNVOR-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.60
Rot. Bonds3

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

4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine (PubChem CID 43562749) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
PubChem CID43562749
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
SMILESCCC1CN(S(=O)(=O)c2cnc(Cl)s2)CCO1
InChIInChI=1S/C9H13ClN2O3S2/c1-2-7-6-12(3-4-15-7)17(13,14)8-5-11-9(10)16-8/h5,7H,2-4,6H2,1H3
InChIKeyCKOGVNNEWHNVOR-UHFFFAOYSA-N
XLogP1.60
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine (CID 43562749) is 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine is CCC1CN(S(=O)(=O)c2cnc(Cl)s2)CCO1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine?
The InChIKey is CKOGVNNEWHNVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c1-2-7-6-12(3-4-15-7)17(13,14)8-5-11-9(10)16-8/h5,7H,2-4,6H2,1H3.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine?
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine has a molecular weight of 296.80 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine is sourced from PubChem (CID 43562749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).