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

C9H13ClN2O3S2 — CID 43544675

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2cnc(Cl)s2)C(C)CO1
InChIInChI=1S/C9H13ClN2O3S2/c1-6-5-15-7(2)4-12(6)17(13,14)8-3-11-9(10)16-8/h3,6-7H,4-5H2,1-2H3
InChIKeyXROJSOYVYPQMMP-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.59
Rot. Bonds2

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

4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine (PubChem CID 43544675) 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]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine
PubChem CID43544675
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2cnc(Cl)s2)C(C)CO1
InChIInChI=1S/C9H13ClN2O3S2/c1-6-5-15-7(2)4-12(6)17(13,14)8-3-11-9(10)16-8/h3,6-7H,4-5H2,1-2H3
InChIKeyXROJSOYVYPQMMP-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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]-2,5-dimethylmorpholine?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine (CID 43544675) is 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine is CC1CN(S(=O)(=O)c2cnc(Cl)s2)C(C)CO1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine?
The InChIKey is XROJSOYVYPQMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c1-6-5-15-7(2)4-12(6)17(13,14)8-3-11-9(10)16-8/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine?
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine has a molecular weight of 296.80 g/mol, XLogP of 1.59, 2 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]-2,5-dimethylmorpholine is sourced from PubChem (CID 43544675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).