azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone

C16H29N3O4S — CID 22552707

IUPACazepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)N2CCOCC2)C1)N1CCCCCC1
InChIInChI=1S/C16H29N3O4S/c20-16(17-7-3-1-2-4-8-17)15-6-5-9-19(14-15)24(21,22)18-10-12-23-13-11-18/h15H,1-14H2
InChIKeyCOFGOPLRXJDYDU-UHFFFAOYSA-N
MW359.49 g/mol
LogP0.68
Rot. Bonds3

About azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone

azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone (PubChem CID 22552707) has the molecular formula C16H29N3O4S and a molecular weight of 359.49 g/mol. Its IUPAC name is azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
PubChem CID22552707
Molecular FormulaC16H29N3O4S
Molecular Weight359.49 g/mol
Exact Mass359.19
IUPAC Nameazepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)N2CCOCC2)C1)N1CCCCCC1
InChIInChI=1S/C16H29N3O4S/c20-16(17-7-3-1-2-4-8-17)15-6-5-9-19(14-15)24(21,22)18-10-12-23-13-11-18/h15H,1-14H2
InChIKeyCOFGOPLRXJDYDU-UHFFFAOYSA-N
XLogP0.68
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 55511986
[(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 142545227
N-cyclohexyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552797
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3564554
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464
2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 55743877
morpholin-4-yl-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55683506
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552708
(3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119727809
N-(2-aminoethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 63253133

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone (CID 22552707) is azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone is O=C(C1CCCN(S(=O)(=O)N2CCOCC2)C1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone?
The InChIKey is COFGOPLRXJDYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4S/c20-16(17-7-3-1-2-4-8-17)15-6-5-9-19(14-15)24(21,22)18-10-12-23-13-11-18/h15H,1-14H2.
What are the key properties of azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone?
azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone has a molecular weight of 359.49 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 22552707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).