3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide

C12H24N2O4S — CID 132776235

IUPAC3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide
SMILESCCCS(=O)(=O)N1CCCC(O)(CCC(=O)NC)C1
InChIInChI=1S/C12H24N2O4S/c1-3-9-19(17,18)14-8-4-6-12(16,10-14)7-5-11(15)13-2/h16H,3-10H2,1-2H3,(H,13,15)
InChIKeyHCYQYJFBBNKTAH-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.08
Rot. Bonds6

About 3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide

3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide (PubChem CID 132776235) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide
PubChem CID132776235
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide
SMILESCCCS(=O)(=O)N1CCCC(O)(CCC(=O)NC)C1
InChIInChI=1S/C12H24N2O4S/c1-3-9-19(17,18)14-8-4-6-12(16,10-14)7-5-11(15)13-2/h16H,3-10H2,1-2H3,(H,13,15)
InChIKeyHCYQYJFBBNKTAH-UHFFFAOYSA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid
CID 130861327
3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide
CID 132776844
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
1-(2-methylsulfonylethylsulfonyl)-3-propylpiperidine-3-carboxylic acid
CID 63245394
1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol
CID 130640047
3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide
CID 132777230
2-propylsulfonyl-2,8-diazaspiro[4.5]decane
CID 83723515
4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid
CID 107215708
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
1-butylsulfonyl-4-methylazepan-4-ol
CID 107407120
(3R)-1-butylsulfonyl-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97112561
4-propylsulfonyl-1,4-oxazepane
CID 62067172

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide?
The IUPAC name of 3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide (CID 132776235) is 3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide?
The canonical SMILES for 3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide is CCCS(=O)(=O)N1CCCC(O)(CCC(=O)NC)C1.
What is the InChIKey of 3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide?
The InChIKey is HCYQYJFBBNKTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-9-19(17,18)14-8-4-6-12(16,10-14)7-5-11(15)13-2/h16H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide?
3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide has a molecular weight of 292.40 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide is sourced from PubChem (CID 132776235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).