(4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone

C15H21N3O4S — CID 973813

IUPAC(4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H21N3O4S/c19-15(14-4-2-1-3-5-14)16-6-8-17(9-7-16)23(20,21)18-10-12-22-13-11-18/h1-5H,6-13H2
InChIKeyVBNOKJPJDWSISY-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.02
Rot. Bonds3

About (4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone

(4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone (PubChem CID 973813) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is (4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone
PubChem CID973813
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name(4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H21N3O4S/c19-15(14-4-2-1-3-5-14)16-6-8-17(9-7-16)23(20,21)18-10-12-22-13-11-18/h1-5H,6-13H2
InChIKeyVBNOKJPJDWSISY-UHFFFAOYSA-N
XLogP0.02
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone?
The IUPAC name of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone (CID 973813) is (4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone.
What is the SMILES notation for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone?
The canonical SMILES for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone is O=C(c1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone?
The InChIKey is VBNOKJPJDWSISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c19-15(14-4-2-1-3-5-14)16-6-8-17(9-7-16)23(20,21)18-10-12-22-13-11-18/h1-5H,6-13H2.
What are the key properties of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone?
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone has a molecular weight of 339.42 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone is sourced from PubChem (CID 973813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).