6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide

C15H20N4O3S — CID 74245475

IUPAC6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide
SMILESCC1(C)SCC(C(=O)NCCNC(=O)c2cccnc2)NC1=O
InChIInChI=1S/C15H20N4O3S/c1-15(2)14(22)19-11(9-23-15)13(21)18-7-6-17-12(20)10-4-3-5-16-8-10/h3-5,8,11H,6-7,9H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyFXMNCKZXIBNEHR-UHFFFAOYSA-N
MW336.42 g/mol
LogP-0.06
Rot. Bonds5

About 6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide

6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide (PubChem CID 74245475) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide
PubChem CID74245475
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide
SMILESCC1(C)SCC(C(=O)NCCNC(=O)c2cccnc2)NC1=O
InChIInChI=1S/C15H20N4O3S/c1-15(2)14(22)19-11(9-23-15)13(21)18-7-6-17-12(20)10-4-3-5-16-8-10/h3-5,8,11H,6-7,9H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyFXMNCKZXIBNEHR-UHFFFAOYSA-N
XLogP-0.06
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-6,6-dimethyl-5-oxo-N-(3-pyridin-3-yloxypropyl)thiomorpholine-3-carboxamide
CID 126442026
6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide
CID 118780109
N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 74245198
N-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]pyridine-3-carboxamide
CID 110790308
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119850152
N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 118771248
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111055623
(3S)-6,6-dimethyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 137036840
(3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95872736
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide?
The IUPAC name of 6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide (CID 74245475) is 6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for 6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for 6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide is CC1(C)SCC(C(=O)NCCNC(=O)c2cccnc2)NC1=O.
What is the InChIKey of 6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide?
The InChIKey is FXMNCKZXIBNEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-15(2)14(22)19-11(9-23-15)13(21)18-7-6-17-12(20)10-4-3-5-16-8-10/h3-5,8,11H,6-7,9H2,1-2H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of 6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide?
6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide has a molecular weight of 336.42 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 74245475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).