2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone

C19H28N2O4S — CID 110353774

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)COCCN1C(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O4S/c1-19(2)15-25-13-12-21(19)18(22)14-16-8-10-20(11-9-16)26(23,24)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3
InChIKeyGOYIVYKZFMWUKT-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.11
Rot. Bonds4

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone

2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone (PubChem CID 110353774) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
PubChem CID110353774
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)COCCN1C(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O4S/c1-19(2)15-25-13-12-21(19)18(22)14-16-8-10-20(11-9-16)26(23,24)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3
InChIKeyGOYIVYKZFMWUKT-UHFFFAOYSA-N
XLogP2.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 110353758
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 91906209
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430840
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 110355965
1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone
CID 48521830
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 139008193
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide
CID 110353175
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone (CID 110353774) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone is CC1(C)COCCN1C(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone?
The InChIKey is GOYIVYKZFMWUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-19(2)15-25-13-12-21(19)18(22)14-16-8-10-20(11-9-16)26(23,24)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3.
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone?
2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone has a molecular weight of 380.51 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 110353774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).