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

C15H28N4O4S — CID 2234132

IUPACazepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(N1CCCCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H28N4O4S/c20-15(16-5-3-1-2-4-6-16)17-7-9-18(10-8-17)24(21,22)19-11-13-23-14-12-19/h1-14H2
InChIKeyKWLZSHLNJJOVSA-UHFFFAOYSA-N
MW360.48 g/mol
LogP0.18
Rot. Bonds2

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

azepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 2234132) has the molecular formula C15H28N4O4S and a molecular weight of 360.48 g/mol. Its IUPAC name is azepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
PubChem CID2234132
Molecular FormulaC15H28N4O4S
Molecular Weight360.48 g/mol
Exact Mass360.18
IUPAC Nameazepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(N1CCCCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H28N4O4S/c20-15(16-5-3-1-2-4-6-16)17-7-9-18(10-8-17)24(21,22)19-11-13-23-14-12-19/h1-14H2
InChIKeyKWLZSHLNJJOVSA-UHFFFAOYSA-N
XLogP0.18
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Bis(4-morpholinylcarbonyl)-1,4-diazepane
CID 2147527
Morpholin-4-yl 4-(piperidylsulfonyl)piperazinyl ketone
CID 2982211
1-{[4-(4-Morpholinylcarbonyl)-1-piperazinyl]carbonyl}azepane
CID 2238616
4-(Morpholin-4-ylsulfonyl)piperazinyl piperidyl ketone
CID 2983794
4-{[4-(1-Pyrrolidinylsulfonyl)-1-piperazinyl]carbonyl}morpholine
CID 16958283
1-[4-(Azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55486269
1-[4-(Azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55512249
2-(Azepan-1-yl)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 131942262

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of azepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone (CID 2234132) is azepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for azepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for azepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone is O=C(N1CCCCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of azepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is KWLZSHLNJJOVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4S/c20-15(16-5-3-1-2-4-6-16)17-7-9-18(10-8-17)24(21,22)19-11-13-23-14-12-19/h1-14H2.
What are the key properties of azepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
azepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 360.48 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 2234132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).