1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

C16H24N4O4S — CID 118739568

IUPAC1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCCS(=O)(=O)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C16H24N4O4S/c1-2-25(21,22)20-4-3-16(11-20)12-24-10-13-9-17-15(18-14(13)16)19-5-7-23-8-6-19/h9H,2-8,10-12H2,1H3
InChIKeyCFKJZKRUAJPIGI-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.14
Rot. Bonds3

About 1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 118739568) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID118739568
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCCS(=O)(=O)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C16H24N4O4S/c1-2-25(21,22)20-4-3-16(11-20)12-24-10-13-9-17-15(18-14(13)16)19-5-7-23-8-6-19/h9H,2-8,10-12H2,1H3
InChIKeyCFKJZKRUAJPIGI-UHFFFAOYSA-N
XLogP0.14
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] 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 1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 118739568) is 1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is CCS(=O)(=O)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1.
What is the InChIKey of 1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is CFKJZKRUAJPIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-2-25(21,22)20-4-3-16(11-20)12-24-10-13-9-17-15(18-14(13)16)19-5-7-23-8-6-19/h9H,2-8,10-12H2,1H3.
What are the key properties of 1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 368.46 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylsulfonyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 118739568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).