N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide

C13H27N3O3S — CID 53278447

IUPACN-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-20(18,19)16-10-6-12(7-11-16)13(17)14-8-5-9-15(2)3/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyWQOQSFVRWMVCGR-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.12
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 53278447) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID53278447
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-20(18,19)16-10-6-12(7-11-16)13(17)14-8-5-9-15(2)3/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyWQOQSFVRWMVCGR-UHFFFAOYSA-N
XLogP0.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 53278447) is N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCCN(C)C)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is WQOQSFVRWMVCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-4-20(18,19)16-10-6-12(7-11-16)13(17)14-8-5-9-15(2)3/h12H,4-11H2,1-3H3,(H,14,17).
What are the key properties of N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53278447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).