4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine

C15H25N5O3S — CID 16673983

IUPAC4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine
SMILESCCS(=O)(=O)N1CCN(Cc2cnc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C15H25N5O3S/c1-2-24(21,22)20-5-3-18(4-6-20)13-14-11-16-15(17-12-14)19-7-9-23-10-8-19/h11-12H,2-10,13H2,1H3
InChIKeyKCUOCCTYMLJWPR-UHFFFAOYSA-N
MW355.46 g/mol
LogP-0.22
Rot. Bonds5

About 4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine

4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine (PubChem CID 16673983) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine
PubChem CID16673983
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine
SMILESCCS(=O)(=O)N1CCN(Cc2cnc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C15H25N5O3S/c1-2-24(21,22)20-5-3-18(4-6-20)13-14-11-16-15(17-12-14)19-7-9-23-10-8-19/h11-12H,2-10,13H2,1H3
InChIKeyKCUOCCTYMLJWPR-UHFFFAOYSA-N
XLogP-0.22
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine (CID 16673983) is 4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine is CCS(=O)(=O)N1CCN(Cc2cnc(N3CCOCC3)nc2)CC1.
What is the InChIKey of 4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine?
The InChIKey is KCUOCCTYMLJWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-2-24(21,22)20-5-3-18(4-6-20)13-14-11-16-15(17-12-14)19-7-9-23-10-8-19/h11-12H,2-10,13H2,1H3.
What are the key properties of 4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine?
4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine has a molecular weight of 355.46 g/mol, XLogP of -0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 16673983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).