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

C10H15ClN2O3S2 — CID 43613194

IUPAC4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-ethylmorpholine
SMILESCCC1COCCN1S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H15ClN2O3S2/c1-3-8-6-16-5-4-13(8)18(14,15)9-7(2)12-10(11)17-9/h8H,3-6H2,1-2H3
InChIKeyCTYBVXAMBWCOHV-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.90
Rot. Bonds3

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

4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-ethylmorpholine (PubChem CID 43613194) 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]-3-ethylmorpholine.

Molecular Properties

Compound Name4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-ethylmorpholine
PubChem CID43613194
Molecular FormulaC10H15ClN2O3S2
Molecular Weight310.83 g/mol
Exact Mass310.02
IUPAC Name4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-ethylmorpholine
SMILESCCC1COCCN1S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H15ClN2O3S2/c1-3-8-6-16-5-4-13(8)18(14,15)9-7(2)12-10(11)17-9/h8H,3-6H2,1-2H3
InChIKeyCTYBVXAMBWCOHV-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-ethylmorpholine?
The IUPAC name of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-ethylmorpholine (CID 43613194) is 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-ethylmorpholine.
What is the SMILES notation for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-ethylmorpholine?
The canonical SMILES for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-ethylmorpholine is CCC1COCCN1S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-ethylmorpholine?
The InChIKey is CTYBVXAMBWCOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S2/c1-3-8-6-16-5-4-13(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]-3-ethylmorpholine?
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-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]-3-ethylmorpholine is sourced from PubChem (CID 43613194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).