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

C13H24N4O5S — CID 2237830

IUPACmorpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H24N4O5S/c18-13(15-5-9-21-10-6-15)14-1-3-16(4-2-14)23(19,20)17-7-11-22-12-8-17/h1-12H2
InChIKeyIINXKQHEAQATBT-UHFFFAOYSA-N
MW348.43 g/mol
LogP-1.37
Rot. Bonds2

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

morpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 2237830) has the molecular formula C13H24N4O5S and a molecular weight of 348.43 g/mol. Its IUPAC name is morpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
PubChem CID2237830
Molecular FormulaC13H24N4O5S
Molecular Weight348.43 g/mol
Exact Mass348.15
IUPAC Namemorpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H24N4O5S/c18-13(15-5-9-21-10-6-15)14-1-3-16(4-2-14)23(19,20)17-7-11-22-12-8-17/h1-12H2
InChIKeyIINXKQHEAQATBT-UHFFFAOYSA-N
XLogP-1.37
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Morpholin-4-yl 4-(piperidylsulfonyl)piperazinyl ketone
CID 2982211
N,N-dimethyl-4-(morpholine-4-carbonyl)piperazine-1-sulfonamide
CID 2147556
[4-(Morpholine-4-carbonyl)-piperazin-1-yl]-morpholin-4-yl-methanone
CID 1326822
[3-Methyl-4-(morpholine-4-carbonyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 2930099
2, 1,4-Bis(4-morpholinylmethyl)-
CID 321251
4-(Morpholin-4-ylsulfonyl)piperazinyl piperidyl ketone
CID 2983794
4-{[4-(1-Pyrrolidinylsulfonyl)-1-piperazinyl]carbonyl}morpholine
CID 16958283
2-Methyl-4-(morpholine-4-carbonyl)piperazine-1-sulfonamide
CID 153819452
[(3S)-3-methyl-4-(morpholine-4-carbonyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 1320181
[(3R)-3-methyl-4-(morpholine-4-carbonyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 1320183
N-methyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 45810150
N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 47141619

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of morpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone (CID 2237830) is morpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for morpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone is O=C(N1CCOCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of morpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is IINXKQHEAQATBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O5S/c18-13(15-5-9-21-10-6-15)14-1-3-16(4-2-14)23(19,20)17-7-11-22-12-8-17/h1-12H2.
What are the key properties of morpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
morpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 348.43 g/mol, XLogP of -1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 2237830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).