N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide

C14H20N2O3S — CID 110389197

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide
SMILESCCN(C(=O)CCc1ccccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O3S/c1-2-16(13-8-10-20(18,19)11-13)14(17)7-6-12-5-3-4-9-15-12/h3-5,9,13H,2,6-8,10-11H2,1H3
InChIKeyFZTLNJDPEIHURO-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.05
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide (PubChem CID 110389197) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide
PubChem CID110389197
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide
SMILESCCN(C(=O)CCc1ccccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O3S/c1-2-16(13-8-10-20(18,19)11-13)14(17)7-6-12-5-3-4-9-15-12/h3-5,9,13H,2,6-8,10-11H2,1H3
InChIKeyFZTLNJDPEIHURO-UHFFFAOYSA-N
XLogP1.05
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-(pyridin-2-ylmethyl)propanediamide
CID 108947458
N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 114290016
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648835
3-(2-aminophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride
CID 120608067
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3-phenylsulfanylpropanamide
CID 94814769
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylmethoxypropanamide
CID 60546311
3-(benzotriazol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide
CID 97143095
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685697
2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 110299246
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-(1H-indol-3-yl)butanamide
CID 8890878
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid
CID 43399752
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-ethylphenyl)-4-oxobutanamide
CID 134028550

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide (CID 110389197) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide is CCN(C(=O)CCc1ccccn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide?
The InChIKey is FZTLNJDPEIHURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-16(13-8-10-20(18,19)11-13)14(17)7-6-12-5-3-4-9-15-12/h3-5,9,13H,2,6-8,10-11H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide has a molecular weight of 296.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 110389197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).