4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine

C15H15N5O4S2 — CID 74224060

IUPAC4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine
SMILESO=S(=O)(c1cccc2nsnc12)N1CCOC(COc2ncccn2)C1
InChIInChI=1S/C15H15N5O4S2/c21-26(22,13-4-1-3-12-14(13)19-25-18-12)20-7-8-23-11(9-20)10-24-15-16-5-2-6-17-15/h1-6,11H,7-10H2
InChIKeyHFCPPMQGHUJXNJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP0.95
Rot. Bonds5

About 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine

4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine (PubChem CID 74224060) has the molecular formula C15H15N5O4S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine.

Molecular Properties

Compound Name4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine
PubChem CID74224060
Molecular FormulaC15H15N5O4S2
Molecular Weight393.45 g/mol
Exact Mass393.06
IUPAC Name4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine
SMILESO=S(=O)(c1cccc2nsnc12)N1CCOC(COc2ncccn2)C1
InChIInChI=1S/C15H15N5O4S2/c21-26(22,13-4-1-3-12-14(13)19-25-18-12)20-7-8-23-11(9-20)10-24-15-16-5-2-6-17-15/h1-6,11H,7-10H2
InChIKeyHFCPPMQGHUJXNJ-UHFFFAOYSA-N
XLogP0.95
TPSA107.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine?
The IUPAC name of 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine (CID 74224060) is 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine.
What is the SMILES notation for 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine?
The canonical SMILES for 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine is O=S(=O)(c1cccc2nsnc12)N1CCOC(COc2ncccn2)C1.
What is the InChIKey of 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine?
The InChIKey is HFCPPMQGHUJXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S2/c21-26(22,13-4-1-3-12-14(13)19-25-18-12)20-7-8-23-11(9-20)10-24-15-16-5-2-6-17-15/h1-6,11H,7-10H2.
What are the key properties of 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine?
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine has a molecular weight of 393.45 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine is sourced from PubChem (CID 74224060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).