1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one

C11H22N2O3S — CID 116562490

IUPAC1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
SMILESCCNCC(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-3-12-8-11(14)7-10-5-4-6-13(9-10)17(2,15)16/h10,12H,3-9H2,1-2H3
InChIKeyWDNLJARARWHPCI-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.23
Rot. Bonds6

About 1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one

1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one (PubChem CID 116562490) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
PubChem CID116562490
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
SMILESCCNCC(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-3-12-8-11(14)7-10-5-4-6-13(9-10)17(2,15)16/h10,12H,3-9H2,1-2H3
InChIKeyWDNLJARARWHPCI-UHFFFAOYSA-N
XLogP0.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one 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

1-(butan-2-ylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 116556123
4,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79611561
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
4-(tert-butylamino)-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116557871
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
4,5,5-trimethyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one
CID 115784270
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
1-(2,2-dimethylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 107003956
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116747630
1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 79611252
1-(1-methylsulfonylpiperidin-3-yl)heptan-4-one
CID 79622826

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one?
The IUPAC name of 1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one (CID 116562490) is 1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one.
What is the SMILES notation for 1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one?
The canonical SMILES for 1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one is CCNCC(=O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one?
The InChIKey is WDNLJARARWHPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-12-8-11(14)7-10-5-4-6-13(9-10)17(2,15)16/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one?
1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one has a molecular weight of 262.37 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one is sourced from PubChem (CID 116562490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).