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

C12H25N3O3S — CID 3636220

IUPACN-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-19(17,18)15-8-5-11(6-9-15)12(16)13-7-10-14(2)3/h11H,4-10H2,1-3H3,(H,13,16)
InChIKeyCAPCSHDFAQHSGJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.27
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 3636220) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID3636220
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-19(17,18)15-8-5-11(6-9-15)12(16)13-7-10-14(2)3/h11H,4-10H2,1-3H3,(H,13,16)
InChIKeyCAPCSHDFAQHSGJ-UHFFFAOYSA-N
XLogP-0.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxypropyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236383
N-cyclohexyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236575
N-(3-ethoxypropyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236874
1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
N-(3-methoxypropyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3241491
1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
N-[3-(1-azepanyl)propyl]-1-ethylsulfonyl-4-piperidinecarboxamide
CID 3244583
N-Butyl-1-(propane-1-sulfonyl)piperidine-3-carboxamide
CID 5193635
N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 57393386
N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
N-butyl-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 5136285
N-(sec-butyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237619

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 3636220) is N-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is CAPCSHDFAQHSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-4-19(17,18)15-8-5-11(6-9-15)12(16)13-7-10-14(2)3/h11H,4-10H2,1-3H3,(H,13,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 291.42 g/mol, XLogP of -0.27, 6 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-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3636220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).