N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide

C11H15N3OS — CID 82918036

IUPACN-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide
SMILESCc1cnccc1NC(=O)C1CSCCN1
InChIInChI=1S/C11H15N3OS/c1-8-6-12-3-2-9(8)14-11(15)10-7-16-5-4-13-10/h2-3,6,10,13H,4-5,7H2,1H3,(H,12,14,15)
InChIKeyOQKKCPYCXNXJKD-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.03
Rot. Bonds2

About N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide

N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide (PubChem CID 82918036) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide
PubChem CID82918036
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide
SMILESCc1cnccc1NC(=O)C1CSCCN1
InChIInChI=1S/C11H15N3OS/c1-8-6-12-3-2-9(8)14-11(15)10-7-16-5-4-13-10/h2-3,6,10,13H,4-5,7H2,1H3,(H,12,14,15)
InChIKeyOQKKCPYCXNXJKD-UHFFFAOYSA-N
XLogP1.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-3-ylthiomorpholine-3-carboxamide
CID 82905944
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-(3-methyl-4-pyridinyl)piperidine-4-carboxamide
CID 63670702
3-methyl-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 102779456
N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82906498
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327750
N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide
CID 82905664
N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide
CID 82905917
N-(3-methyl-4-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66468996

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide (CID 82918036) is N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide is Cc1cnccc1NC(=O)C1CSCCN1.
What is the InChIKey of N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide?
The InChIKey is OQKKCPYCXNXJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8-6-12-3-2-9(8)14-11(15)10-7-16-5-4-13-10/h2-3,6,10,13H,4-5,7H2,1H3,(H,12,14,15).
What are the key properties of N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide?
N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide has a molecular weight of 237.33 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82918036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).