(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone

C16H24N2O3S — CID 120818688

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone
SMILESCCS(=O)(=O)c1ccccc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H24N2O3S/c1-4-22(20,21)13-8-6-5-7-12(13)15(19)18-10-9-14(17)16(2,3)11-18/h5-8,14H,4,9-11,17H2,1-3H3
InChIKeyYBJPRTXMDIQUAI-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.68
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone (PubChem CID 120818688) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone
PubChem CID120818688
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone
SMILESCCS(=O)(=O)c1ccccc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H24N2O3S/c1-4-22(20,21)13-8-6-5-7-12(13)15(19)18-10-9-14(17)16(2,3)11-18/h5-8,14H,4,9-11,17H2,1-3H3
InChIKeyYBJPRTXMDIQUAI-UHFFFAOYSA-N
XLogP1.68
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-ethylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 119166683
(2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 51124033
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
CID 120815399
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone
CID 120814501
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-3-fluorophenyl)methanone
CID 120814331
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 120816624
4-(2-ethylsulfonylbenzoyl)piperazine-2,6-dione
CID 66084710
[4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 119423695
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 120814465
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120816623

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone (CID 120818688) is (4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone is CCS(=O)(=O)c1ccccc1C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone?
The InChIKey is YBJPRTXMDIQUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-22(20,21)13-8-6-5-7-12(13)15(19)18-10-9-14(17)16(2,3)11-18/h5-8,14H,4,9-11,17H2,1-3H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone has a molecular weight of 324.45 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone is sourced from PubChem (CID 120818688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).