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

C8H11ClN2O3S2 — CID 43427530

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2cnc(Cl)s2)CCO1
InChIInChI=1S/C8H11ClN2O3S2/c1-6-5-11(2-3-14-6)16(12,13)7-4-10-8(9)15-7/h4,6H,2-3,5H2,1H3
InChIKeyPYFSZCYGRBCZSD-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.21
Rot. Bonds2

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

4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine (PubChem CID 43427530) has the molecular formula C8H11ClN2O3S2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine
PubChem CID43427530
Molecular FormulaC8H11ClN2O3S2
Molecular Weight282.77 g/mol
Exact Mass281.99
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2cnc(Cl)s2)CCO1
InChIInChI=1S/C8H11ClN2O3S2/c1-6-5-11(2-3-14-6)16(12,13)7-4-10-8(9)15-7/h4,6H,2-3,5H2,1H3
InChIKeyPYFSZCYGRBCZSD-UHFFFAOYSA-N
XLogP1.21
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.21
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-methylmorpholine?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine (CID 43427530) is 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine is CC1CN(S(=O)(=O)c2cnc(Cl)s2)CCO1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine?
The InChIKey is PYFSZCYGRBCZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3S2/c1-6-5-11(2-3-14-6)16(12,13)7-4-10-8(9)15-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine?
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine has a molecular weight of 282.77 g/mol, XLogP of 1.21, 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-methylmorpholine is sourced from PubChem (CID 43427530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).