[4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone

C16H24N2O3S — CID 119423695

IUPAC[4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N1CCC(CN)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-11-22(20,21)15-6-4-3-5-14(15)16(19)18-9-7-13(12-17)8-10-18/h3-6,13H,2,7-12,17H2,1H3
InChIKeyWQRWDUQJGLQOHK-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.68
Rot. Bonds5

About [4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone

[4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone (PubChem CID 119423695) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
PubChem CID119423695
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N1CCC(CN)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-11-22(20,21)15-6-4-3-5-14(15)16(19)18-9-7-13(12-17)8-10-18/h3-6,13H,2,7-12,17H2,1H3
InChIKeyWQRWDUQJGLQOHK-UHFFFAOYSA-N
XLogP1.68
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 86982540
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 124613094
[4-(3-aminopropoxy)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 119663751
3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide
CID 55965713
[3-(1-aminoethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone;hydrochloride
CID 119595549
N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481442
[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride
CID 166451635
1-(2-ethylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 119166683
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 39928527
(2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 51124033
(2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone
CID 35025063
(3S)-3-methyl-1-(2-propylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125149966

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone (CID 119423695) is [4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone is CCCS(=O)(=O)c1ccccc1C(=O)N1CCC(CN)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone?
The InChIKey is WQRWDUQJGLQOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-11-22(20,21)15-6-4-3-5-14(15)16(19)18-9-7-13(12-17)8-10-18/h3-6,13H,2,7-12,17H2,1H3.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone has a molecular weight of 324.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone is sourced from PubChem (CID 119423695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).