4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C16H27N5O3S — CID 70703503

IUPAC4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCCCCS(=O)(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H27N5O3S/c1-2-3-14-25(22,23)21-8-6-19(7-9-21)15-4-5-17-16(18-15)20-10-12-24-13-11-20/h4-5H,2-3,6-14H2,1H3
InChIKeyRSQOSDQWOMPIIQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.57
Rot. Bonds6

About 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 70703503) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID70703503
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCCCCS(=O)(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H27N5O3S/c1-2-3-14-25(22,23)21-8-6-19(7-9-21)15-4-5-17-16(18-15)20-10-12-24-13-11-20/h4-5H,2-3,6-14H2,1H3
InChIKeyRSQOSDQWOMPIIQ-UHFFFAOYSA-N
XLogP0.57
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 70703503) is 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is CCCCS(=O)(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is RSQOSDQWOMPIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-2-3-14-25(22,23)21-8-6-19(7-9-21)15-4-5-17-16(18-15)20-10-12-24-13-11-20/h4-5H,2-3,6-14H2,1H3.
What are the key properties of 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 369.49 g/mol, XLogP of 0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 70703503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).