N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide

C13H23N3O2S — CID 82909327

IUPACN-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)C2CSCCN2)CC1
InChIInChI=1S/C13H23N3O2S/c1-2-14-12(17)10-3-6-16(7-4-10)13(18)11-9-19-8-5-15-11/h10-11,15H,2-9H2,1H3,(H,14,17)
InChIKeyFNYZGNZJHVEQJE-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.07
Rot. Bonds3

About N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide

N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 82909327) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
PubChem CID82909327
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)C2CSCCN2)CC1
InChIInChI=1S/C13H23N3O2S/c1-2-14-12(17)10-3-6-16(7-4-10)13(18)11-9-19-8-5-15-11/h10-11,15H,2-9H2,1H3,(H,14,17)
InChIKeyFNYZGNZJHVEQJE-UHFFFAOYSA-N
XLogP0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
CID 82897685
N-propyl-1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxamide
CID 119278298
N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936002
N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 61163792
N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936798
(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
CID 82916453
N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936671
3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103550405
N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide
CID 82917775
1-(4-aminooxolane-3-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 66235835
1-(2-aminocyclohexanecarbonyl)-N-ethylpiperidine-4-carboxamide
CID 64822823
(7,7-dimethyl-1,4-thiazepan-4-yl)-thiomorpholin-3-ylmethanone
CID 107454657

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide (CID 82909327) is N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)C2CSCCN2)CC1.
What is the InChIKey of N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is FNYZGNZJHVEQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-2-14-12(17)10-3-6-16(7-4-10)13(18)11-9-19-8-5-15-11/h10-11,15H,2-9H2,1H3,(H,14,17).
What are the key properties of N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide?
N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 82909327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).