3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide

C12H25N3O3S — CID 62834981

IUPAC3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide
SMILESCCNCCC(=O)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H25N3O3S/c1-3-13-8-5-12(16)14-11-6-9-15(10-7-11)19(17,18)4-2/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyDBLKYVMLEDPCOX-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.08
Rot. Bonds7

About 3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide

3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide (PubChem CID 62834981) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide
PubChem CID62834981
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide
SMILESCCNCCC(=O)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H25N3O3S/c1-3-13-8-5-12(16)14-11-6-9-15(10-7-11)19(17,18)4-2/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyDBLKYVMLEDPCOX-UHFFFAOYSA-N
XLogP-0.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide
CID 61275650
2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 61274504
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
CID 79287512
N-[1-[3-(ethylamino)propanoyl]piperidin-4-yl]butanamide
CID 62835122
3-(ethylamino)-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 62833950
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
2-[2-[(1-ethylsulfonylpiperidin-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569215
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide
CID 61365867

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide (CID 62834981) is 3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide is CCNCCC(=O)NC1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is DBLKYVMLEDPCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-3-13-8-5-12(16)14-11-6-9-15(10-7-11)19(17,18)4-2/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide?
3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 291.42 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 62834981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).