2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide

C15H21ClN4O4S — CID 118636776

IUPAC2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1C1CC(Oc2cc(Cl)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C15H21ClN4O4S/c16-13-10-14(18-15(17-13)19-3-5-23-6-4-19)24-12-8-11(9-12)20-2-1-7-25(20,21)22/h10-12H,1-9H2
InChIKeyJYDRSRBLIBDARK-UHFFFAOYSA-N
MW388.88 g/mol
LogP0.91
Rot. Bonds4

About 2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide

2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 118636776) has the molecular formula C15H21ClN4O4S and a molecular weight of 388.88 g/mol. Its IUPAC name is 2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID118636776
Molecular FormulaC15H21ClN4O4S
Molecular Weight388.88 g/mol
Exact Mass388.10
IUPAC Name2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1C1CC(Oc2cc(Cl)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C15H21ClN4O4S/c16-13-10-14(18-15(17-13)19-3-5-23-6-4-19)24-12-8-11(9-12)20-2-1-7-25(20,21)22/h10-12H,1-9H2
InChIKeyJYDRSRBLIBDARK-UHFFFAOYSA-N
XLogP0.91
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide (CID 118636776) is 2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1C1CC(Oc2cc(Cl)nc(N3CCOCC3)n2)C1.
What is the InChIKey of 2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is JYDRSRBLIBDARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O4S/c16-13-10-14(18-15(17-13)19-3-5-23-6-4-19)24-12-8-11(9-12)20-2-1-7-25(20,21)22/h10-12H,1-9H2.
What are the key properties of 2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide?
2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 388.88 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxycyclobutyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 118636776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).