4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine

C19H27N5O3S2 — CID 122333647

IUPAC4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)s1
InChIInChI=1S/C19H27N5O3S2/c1-3-16-4-5-18(28-16)29(25,26)24-8-6-23(7-9-24)19-20-15(2)14-17(21-19)22-10-12-27-13-11-22/h4-5,14H,3,6-13H2,1-2H3
InChIKeyKMTASZALULZIDV-UHFFFAOYSA-N
MW437.59 g/mol
LogP1.76
Rot. Bonds5

About 4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine

4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine (PubChem CID 122333647) has the molecular formula C19H27N5O3S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
PubChem CID122333647
Molecular FormulaC19H27N5O3S2
Molecular Weight437.59 g/mol
Exact Mass437.16
IUPAC Name4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)s1
InChIInChI=1S/C19H27N5O3S2/c1-3-16-4-5-18(28-16)29(25,26)24-8-6-23(7-9-24)19-20-15(2)14-17(21-19)22-10-12-27-13-11-22/h4-5,14H,3,6-13H2,1-2H3
InChIKeyKMTASZALULZIDV-UHFFFAOYSA-N
XLogP1.76
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333152
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50947472
4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 44826823
4-[2-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 122333697
4-[6-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 27477978
N,N-dimethyl-4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-sulfonamide
CID 50947311
4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340159
4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50945868
4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 50947561
4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 27477893
4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340139

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine (CID 122333647) is 4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine is CCc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)s1.
What is the InChIKey of 4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The InChIKey is KMTASZALULZIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S2/c1-3-16-4-5-18(28-16)29(25,26)24-8-6-23(7-9-24)19-20-15(2)14-17(21-19)22-10-12-27-13-11-22/h4-5,14H,3,6-13H2,1-2H3.
What are the key properties of 4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine has a molecular weight of 437.59 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 122333647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).