N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide

C11H15N3OS — CID 82906473

IUPACN-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CSCCN1
InChIInChI=1S/C11H15N3OS/c15-11(10-8-16-5-4-13-10)14-7-9-2-1-3-12-6-9/h1-3,6,10,13H,4-5,7-8H2,(H,14,15)
InChIKeyRDWWMYATAFGBTD-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.40
Rot. Bonds3

About N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide

N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide (PubChem CID 82906473) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide
PubChem CID82906473
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CSCCN1
InChIInChI=1S/C11H15N3OS/c15-11(10-8-16-5-4-13-10)14-7-9-2-1-3-12-6-9/h1-3,6,10,13H,4-5,7-8H2,(H,14,15)
InChIKeyRDWWMYATAFGBTD-UHFFFAOYSA-N
XLogP0.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-3-ylthiomorpholine-3-carboxamide
CID 82905944
N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride
CID 119941733
N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82908850
N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide
CID 82916761
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide
CID 82908468
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide
CID 82906717
4-(pyridin-3-ylmethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82903979
(2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 95728177

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide (CID 82906473) is N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide is O=C(NCc1cccnc1)C1CSCCN1.
What is the InChIKey of N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide?
The InChIKey is RDWWMYATAFGBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c15-11(10-8-16-5-4-13-10)14-7-9-2-1-3-12-6-9/h1-3,6,10,13H,4-5,7-8H2,(H,14,15).
What are the key properties of N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide?
N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide has a molecular weight of 237.33 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).