5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one

C17H32N2O4S — CID 110304785

IUPAC5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
SMILESCC1CN(C(=O)CCCCS(=O)(=O)N2CCCCC2)C(C)(C)CO1
InChIInChI=1S/C17H32N2O4S/c1-15-13-19(17(2,3)14-23-15)16(20)9-5-8-12-24(21,22)18-10-6-4-7-11-18/h15H,4-14H2,1-3H3
InChIKeyIRUQRUFGEVGRGY-UHFFFAOYSA-N
MW360.52 g/mol
LogP2.00
Rot. Bonds6

About 5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one

5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one (PubChem CID 110304785) has the molecular formula C17H32N2O4S and a molecular weight of 360.52 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
PubChem CID110304785
Molecular FormulaC17H32N2O4S
Molecular Weight360.52 g/mol
Exact Mass360.21
IUPAC Name5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
SMILESCC1CN(C(=O)CCCCS(=O)(=O)N2CCCCC2)C(C)(C)CO1
InChIInChI=1S/C17H32N2O4S/c1-15-13-19(17(2,3)14-23-15)16(20)9-5-8-12-24(21,22)18-10-6-4-7-11-18/h15H,4-14H2,1-3H3
InChIKeyIRUQRUFGEVGRGY-UHFFFAOYSA-N
XLogP2.00
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
CID 52985704
5-(azepan-1-ylsulfonyl)pentanoyl chloride
CID 28704871
1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
CID 4599987
4-pyrrolidin-1-ylsulfonyl-1-(2,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 136519513
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one
CID 110414609
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325
1-(2-methylpiperazin-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one;hydrochloride
CID 119469976
5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid
CID 28704901
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 119630905
N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299836
1-(1-amino-2-ethenylcyclopropyl)-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 90922434
4-(azepan-1-ylsulfonyl)butan-1-amine
CID 28704736

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one?
The IUPAC name of 5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one (CID 110304785) is 5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one is CC1CN(C(=O)CCCCS(=O)(=O)N2CCCCC2)C(C)(C)CO1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one?
The InChIKey is IRUQRUFGEVGRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4S/c1-15-13-19(17(2,3)14-23-15)16(20)9-5-8-12-24(21,22)18-10-6-4-7-11-18/h15H,4-14H2,1-3H3.
What are the key properties of 5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one?
5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one has a molecular weight of 360.52 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 110304785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).