[(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone

C14H26N2O4S — CID 146129267

IUPAC[(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCOC[C@H]1C
InChIInChI=1S/C14H26N2O4S/c1-3-10-21(18,19)16-7-5-4-6-13(16)14(17)15-8-9-20-11-12(15)2/h12-13H,3-11H2,1-2H3/t12-,13?/m1/s1
InChIKeyBJHSKRRWUOXJKE-PZORYLMUSA-N
MW318.44 g/mol
LogP0.83
Rot. Bonds4

About [(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone

[(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone (PubChem CID 146129267) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is [(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
PubChem CID146129267
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name[(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCOC[C@H]1C
InChIInChI=1S/C14H26N2O4S/c1-3-10-21(18,19)16-7-5-4-6-13(16)14(17)15-8-9-20-11-12(15)2/h12-13H,3-11H2,1-2H3/t12-,13?/m1/s1
InChIKeyBJHSKRRWUOXJKE-PZORYLMUSA-N
XLogP0.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 55563956
(2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone
CID 87046016
7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone
CID 71925557
[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 124866912
[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone
CID 95614757
[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612
(4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61145275
2-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55993696
cycloheptyl (2R)-1-propylsulfonylpiperidine-2-carboxylate
CID 97027992

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone?
The IUPAC name of [(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone (CID 146129267) is [(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone.
What is the SMILES notation for [(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone?
The canonical SMILES for [(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone is CCCS(=O)(=O)N1CCCCC1C(=O)N1CCOC[C@H]1C.
What is the InChIKey of [(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone?
The InChIKey is BJHSKRRWUOXJKE-PZORYLMUSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-3-10-21(18,19)16-7-5-4-6-13(16)14(17)15-8-9-20-11-12(15)2/h12-13H,3-11H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of [(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone?
[(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone has a molecular weight of 318.44 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone is sourced from PubChem (CID 146129267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).