N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide

C13H27N3O3S — CID 4691221

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

About N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 4691221) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID4691221
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-11-20(18,19)16-8-5-12(6-9-16)13(17)14-7-10-15(2)3/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyPZMJGGCXCHFZOI-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide (CID 4691221) is N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is PZMJGGCXCHFZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-4-11-20(18,19)16-8-5-12(6-9-16)13(17)14-7-10-15(2)3/h12H,4-11H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-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-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4691221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).