4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine

C10H14ClN3O3S — CID 43562747

IUPAC4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine
SMILESCCC1CN(S(=O)(=O)c2cnc(Cl)nc2)CCO1
InChIInChI=1S/C10H14ClN3O3S/c1-2-8-7-14(3-4-17-8)18(15,16)9-5-12-10(11)13-6-9/h5-6,8H,2-4,7H2,1H3
InChIKeyOBKXZPIWLDFSSD-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.93
Rot. Bonds3

About 4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine

4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine (PubChem CID 43562747) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine.

Molecular Properties

Compound Name4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine
PubChem CID43562747
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine
SMILESCCC1CN(S(=O)(=O)c2cnc(Cl)nc2)CCO1
InChIInChI=1S/C10H14ClN3O3S/c1-2-8-7-14(3-4-17-8)18(15,16)9-5-12-10(11)13-6-9/h5-6,8H,2-4,7H2,1H3
InChIKeyOBKXZPIWLDFSSD-UHFFFAOYSA-N
XLogP0.93
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine?
The IUPAC name of 4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine (CID 43562747) is 4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine.
What is the SMILES notation for 4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine?
The canonical SMILES for 4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine is CCC1CN(S(=O)(=O)c2cnc(Cl)nc2)CCO1.
What is the InChIKey of 4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine?
The InChIKey is OBKXZPIWLDFSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-2-8-7-14(3-4-17-8)18(15,16)9-5-12-10(11)13-6-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine?
4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine has a molecular weight of 291.76 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine is sourced from PubChem (CID 43562747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).