4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine

C12H25N3O3S — CID 123803437

IUPAC4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine
SMILESCN1CCN(S(=O)(=O)CCCN2CCOCC2)CC1
InChIInChI=1S/C12H25N3O3S/c1-13-4-6-15(7-5-13)19(16,17)12-2-3-14-8-10-18-11-9-14/h2-12H2,1H3
InChIKeyDRVRSZPLFURFGU-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.71
Rot. Bonds5

About 4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine

4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine (PubChem CID 123803437) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine
PubChem CID123803437
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine
SMILESCN1CCN(S(=O)(=O)CCCN2CCOCC2)CC1
InChIInChI=1S/C12H25N3O3S/c1-13-4-6-15(7-5-13)19(16,17)12-2-3-14-8-10-18-11-9-14/h2-12H2,1H3
InChIKeyDRVRSZPLFURFGU-UHFFFAOYSA-N
XLogP-0.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine (CID 123803437) is 4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine is CN1CCN(S(=O)(=O)CCCN2CCOCC2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine?
The InChIKey is DRVRSZPLFURFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-13-4-6-15(7-5-13)19(16,17)12-2-3-14-8-10-18-11-9-14/h2-12H2,1H3.
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine?
4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine has a molecular weight of 291.42 g/mol, XLogP of -0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]morpholine is sourced from PubChem (CID 123803437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).