1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol

C18H29N3O5S — CID 3452081

IUPAC1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
SMILESCN1CCN(CC(O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C18H29N3O5S/c1-19-6-8-20(9-7-19)14-16(22)15-26-17-2-4-18(5-3-17)27(23,24)21-10-12-25-13-11-21/h2-5,16,22H,6-15H2,1H3
InChIKeyBKUOJFQQAPCHCR-UHFFFAOYSA-N
MW399.51 g/mol
LogP-0.31
Rot. Bonds7

About 1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol

1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol (PubChem CID 3452081) has the molecular formula C18H29N3O5S and a molecular weight of 399.51 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
PubChem CID3452081
Molecular FormulaC18H29N3O5S
Molecular Weight399.51 g/mol
Exact Mass399.18
IUPAC Name1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
SMILESCN1CCN(CC(O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C18H29N3O5S/c1-19-6-8-20(9-7-19)14-16(22)15-26-17-2-4-18(5-3-17)27(23,24)21-10-12-25-13-11-21/h2-5,16,22H,6-15H2,1H3
InChIKeyBKUOJFQQAPCHCR-UHFFFAOYSA-N
XLogP-0.31
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol (CID 3452081) is 1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol is CN1CCN(CC(O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol?
The InChIKey is BKUOJFQQAPCHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S/c1-19-6-8-20(9-7-19)14-16(22)15-26-17-2-4-18(5-3-17)27(23,24)21-10-12-25-13-11-21/h2-5,16,22H,6-15H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol?
1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol has a molecular weight of 399.51 g/mol, XLogP of -0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol is sourced from PubChem (CID 3452081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).