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

C9H13ClN2O3S2 — CID 43542203

IUPAC4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCOCC1C
InChIInChI=1S/C9H13ClN2O3S2/c1-6-5-15-4-3-12(6)17(13,14)8-7(2)11-9(10)16-8/h6H,3-5H2,1-2H3
InChIKeyREMHRIYAURJSRR-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.51
Rot. Bonds2

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

4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine (PubChem CID 43542203) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine
PubChem CID43542203
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCOCC1C
InChIInChI=1S/C9H13ClN2O3S2/c1-6-5-15-4-3-12(6)17(13,14)8-7(2)11-9(10)16-8/h6H,3-5H2,1-2H3
InChIKeyREMHRIYAURJSRR-UHFFFAOYSA-N
XLogP1.51
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.51
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]-3-methylmorpholine?
The IUPAC name of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine (CID 43542203) is 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine.
What is the SMILES notation for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine?
The canonical SMILES for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine is Cc1nc(Cl)sc1S(=O)(=O)N1CCOCC1C.
What is the InChIKey of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine?
The InChIKey is REMHRIYAURJSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c1-6-5-15-4-3-12(6)17(13,14)8-7(2)11-9(10)16-8/h6H,3-5H2,1-2H3.
What are the key properties of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine?
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine has a molecular weight of 296.80 g/mol, XLogP of 1.51, 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]-3-methylmorpholine is sourced from PubChem (CID 43542203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).