morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone

C19H28N4O7S2 — CID 24603019

IUPACmorpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C19H28N4O7S2/c24-19(21-9-13-29-14-10-21)20-5-7-22(8-6-20)31(25,26)17-1-3-18(4-2-17)32(27,28)23-11-15-30-16-12-23/h1-4H,5-16H2
InChIKeyALMVMMFTTVGTFE-UHFFFAOYSA-N
MW488.59 g/mol
LogP-0.53
Rot. Bonds4

About morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone

morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 24603019) has the molecular formula C19H28N4O7S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID24603019
Molecular FormulaC19H28N4O7S2
Molecular Weight488.59 g/mol
Exact Mass488.14
IUPAC Namemorpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C19H28N4O7S2/c24-19(21-9-13-29-14-10-21)20-5-7-22(8-6-20)31(25,26)17-1-3-18(4-2-17)32(27,28)23-11-15-30-16-12-23/h1-4H,5-16H2
InChIKeyALMVMMFTTVGTFE-UHFFFAOYSA-N
XLogP-0.53
TPSA116.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 34052568
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683
[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 24603024
[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55476348
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 849899
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 17482039
[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55558853
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34665578
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid
CID 57373716

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone (CID 24603019) is morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone is O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is ALMVMMFTTVGTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O7S2/c24-19(21-9-13-29-14-10-21)20-5-7-22(8-6-20)31(25,26)17-1-3-18(4-2-17)32(27,28)23-11-15-30-16-12-23/h1-4H,5-16H2.
What are the key properties of morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone?
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 488.59 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 24603019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).