N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide

C15H21N3O4S — CID 146125687

IUPACN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C15H21N3O4S/c1-3-12-4-5-16-13(10-12)14(19)17-11(2)15(20)18-6-8-23(21,22)9-7-18/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyWURKZINKXYMOKQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.02
Rot. Bonds4

About N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide

N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide (PubChem CID 146125687) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide
PubChem CID146125687
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C15H21N3O4S/c1-3-12-4-5-16-13(10-12)14(19)17-11(2)15(20)18-6-8-23(21,22)9-7-18/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyWURKZINKXYMOKQ-UHFFFAOYSA-N
XLogP0.02
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide
CID 146125648
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 56544612
4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 115730315
N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
CID 95149568
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid
CID 63883208
N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 56544711
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 56533555
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 56533546
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 56580995
2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56580806
N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122557299
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
CID 171631464

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide?
The IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide (CID 146125687) is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide is CCc1ccnc(C(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)c1.
What is the InChIKey of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide?
The InChIKey is WURKZINKXYMOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-3-12-4-5-16-13(10-12)14(19)17-11(2)15(20)18-6-8-23(21,22)9-7-18/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide?
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide is sourced from PubChem (CID 146125687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).