4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine

C22H29N3O3S — CID 8902409

IUPAC4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(CN2CCN(Cc3ccccc3)CC2)c1)N1CCOCC1
InChIInChI=1S/C22H29N3O3S/c26-29(27,25-13-15-28-16-14-25)22-8-4-7-21(17-22)19-24-11-9-23(10-12-24)18-20-5-2-1-3-6-20/h1-8,17H,9-16,18-19H2
InChIKeyQUFDFCGATZVWPP-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.03
Rot. Bonds6

About 4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine

4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine (PubChem CID 8902409) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
PubChem CID8902409
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(CN2CCN(Cc3ccccc3)CC2)c1)N1CCOCC1
InChIInChI=1S/C22H29N3O3S/c26-29(27,25-13-15-28-16-14-25)22-8-4-7-21(17-22)19-24-11-9-23(10-12-24)18-20-5-2-1-3-6-20/h1-8,17H,9-16,18-19H2
InChIKeyQUFDFCGATZVWPP-UHFFFAOYSA-N
XLogP2.03
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
4-[3-[(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]sulfonylmorpholine
CID 167008516
2,6-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 18135067
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
4-[3-[[4-[1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyrazol-4-yl]pyrazol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 47012655
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 18135081
1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine
CID 71691327
N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 34610722
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 651778
7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 45355856

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine (CID 8902409) is 4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine is O=S(=O)(c1cccc(CN2CCN(Cc3ccccc3)CC2)c1)N1CCOCC1.
What is the InChIKey of 4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine?
The InChIKey is QUFDFCGATZVWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c26-29(27,25-13-15-28-16-14-25)22-8-4-7-21(17-22)19-24-11-9-23(10-12-24)18-20-5-2-1-3-6-20/h1-8,17H,9-16,18-19H2.
What are the key properties of 4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine?
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine has a molecular weight of 415.56 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 8902409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).