2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine

C15H23N3O3S — CID 45488561

IUPAC2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine
SMILESO=S(=O)(c1ccccc1)N1CCN(CC2CNCCO2)CC1
InChIInChI=1S/C15H23N3O3S/c19-22(20,15-4-2-1-3-5-15)18-9-7-17(8-10-18)13-14-12-16-6-11-21-14/h1-5,14,16H,6-13H2
InChIKeyRZLLJRUEVRJDQV-UHFFFAOYSA-N
MW325.43 g/mol
LogP-0.02
Rot. Bonds4

About 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine

2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine (PubChem CID 45488561) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine
PubChem CID45488561
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine
SMILESO=S(=O)(c1ccccc1)N1CCN(CC2CNCCO2)CC1
InChIInChI=1S/C15H23N3O3S/c19-22(20,15-4-2-1-3-5-15)18-9-7-17(8-10-18)13-14-12-16-6-11-21-14/h1-5,14,16H,6-13H2
InChIKeyRZLLJRUEVRJDQV-UHFFFAOYSA-N
XLogP-0.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine?
The IUPAC name of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine (CID 45488561) is 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine.
What is the SMILES notation for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine?
The canonical SMILES for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine is O=S(=O)(c1ccccc1)N1CCN(CC2CNCCO2)CC1.
What is the InChIKey of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine?
The InChIKey is RZLLJRUEVRJDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c19-22(20,15-4-2-1-3-5-15)18-9-7-17(8-10-18)13-14-12-16-6-11-21-14/h1-5,14,16H,6-13H2.
What are the key properties of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine?
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine has a molecular weight of 325.43 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]morpholine is sourced from PubChem (CID 45488561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).