N-pyridin-3-ylthiomorpholine-3-carboxamide

C10H13N3OS — CID 82905944

IUPACN-pyridin-3-ylthiomorpholine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CSCCN1
InChIInChI=1S/C10H13N3OS/c14-10(9-7-15-5-4-12-9)13-8-2-1-3-11-6-8/h1-3,6,9,12H,4-5,7H2,(H,13,14)
InChIKeyPOWFXFKYDREBPC-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.73
Rot. Bonds2

About N-pyridin-3-ylthiomorpholine-3-carboxamide

N-pyridin-3-ylthiomorpholine-3-carboxamide (PubChem CID 82905944) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-pyridin-3-ylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-ylthiomorpholine-3-carboxamide
PubChem CID82905944
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-pyridin-3-ylthiomorpholine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CSCCN1
InChIInChI=1S/C10H13N3OS/c14-10(9-7-15-5-4-12-9)13-8-2-1-3-11-6-8/h1-3,6,9,12H,4-5,7H2,(H,13,14)
InChIKeyPOWFXFKYDREBPC-UHFFFAOYSA-N
XLogP0.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide
CID 82906473
N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide
CID 82918036
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82908775
N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119941075
N-[3-(1,2,4-triazol-4-yl)phenyl]thiomorpholine-3-carboxamide
CID 82905705
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
CID 82906459

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylthiomorpholine-3-carboxamide?
The IUPAC name of N-pyridin-3-ylthiomorpholine-3-carboxamide (CID 82905944) is N-pyridin-3-ylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-pyridin-3-ylthiomorpholine-3-carboxamide?
The canonical SMILES for N-pyridin-3-ylthiomorpholine-3-carboxamide is O=C(Nc1cccnc1)C1CSCCN1.
What is the InChIKey of N-pyridin-3-ylthiomorpholine-3-carboxamide?
The InChIKey is POWFXFKYDREBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c14-10(9-7-15-5-4-12-9)13-8-2-1-3-11-6-8/h1-3,6,9,12H,4-5,7H2,(H,13,14).
What are the key properties of N-pyridin-3-ylthiomorpholine-3-carboxamide?
N-pyridin-3-ylthiomorpholine-3-carboxamide has a molecular weight of 223.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylthiomorpholine-3-carboxamide is sourced from PubChem (CID 82905944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).