(2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone

C15H28N2O4S — CID 87046016

IUPAC(2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C15H28N2O4S/c1-4-11-22(19,20)17-8-6-5-7-13(17)14(18)16-9-10-21-15(2,3)12-16/h13H,4-12H2,1-3H3
InChIKeyWGRYMJYVZFUJGO-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.22
Rot. Bonds4

About (2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone

(2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone (PubChem CID 87046016) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone
PubChem CID87046016
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C15H28N2O4S/c1-4-11-22(19,20)17-8-6-5-7-13(17)14(18)16-9-10-21-15(2,3)12-16/h13H,4-12H2,1-3H3
InChIKeyWGRYMJYVZFUJGO-UHFFFAOYSA-N
XLogP1.22
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
3-methyl-1-(1-propylsulfonylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256351
2-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55993696
1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612
(3aS,6aR)-2-(1-propylsulfonylpiperidine-2-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683356
[(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
CID 146129267
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 55563956
N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55992321
[2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
CID 55996837
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 114680203
N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55447192

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone (CID 87046016) is (2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone is CCCS(=O)(=O)N1CCCCC1C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone?
The InChIKey is WGRYMJYVZFUJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-4-11-22(19,20)17-8-6-5-7-13(17)14(18)16-9-10-21-15(2,3)12-16/h13H,4-12H2,1-3H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone?
(2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone has a molecular weight of 332.47 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone is sourced from PubChem (CID 87046016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).