N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C15H20N4O3S — CID 53298959

IUPACN-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCSc2ncccc21)NCC1CCCO1
InChIInChI=1S/C15H20N4O3S/c20-13(17-9-11-3-2-7-22-11)10-18-15(21)19-6-8-23-14-12(19)4-1-5-16-14/h1,4-5,11H,2-3,6-10H2,(H,17,20)(H,18,21)
InChIKeyHIWUORVGYSXPFH-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.00
Rot. Bonds4

About N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 53298959) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID53298959
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCSc2ncccc21)NCC1CCCO1
InChIInChI=1S/C15H20N4O3S/c20-13(17-9-11-3-2-7-22-11)10-18-15(21)19-6-8-23-14-12(19)4-1-5-16-14/h1,4-5,11H,2-3,6-10H2,(H,17,20)(H,18,21)
InChIKeyHIWUORVGYSXPFH-UHFFFAOYSA-N
XLogP1.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 95860515
2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone
CID 167888878
N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)acetamide
CID 2942219
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 3248343
1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47237171
N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920699
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943685
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95095586

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 53298959) is N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is O=C(CNC(=O)N1CCSc2ncccc21)NCC1CCCO1.
What is the InChIKey of N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is HIWUORVGYSXPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c20-13(17-9-11-3-2-7-22-11)10-18-15(21)19-6-8-23-14-12(19)4-1-5-16-14/h1,4-5,11H,2-3,6-10H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 53298959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).