2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide

C13H19N3O4S — CID 110094614

IUPAC2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
SMILESCC1(C(=O)NCc2cccnc2)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C13H19N3O4S/c1-13(10-16(6-7-20-13)21(2,18)19)12(17)15-9-11-4-3-5-14-8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyPLRWNYBHFUCADI-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.25
Rot. Bonds4

About 2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide

2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide (PubChem CID 110094614) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
PubChem CID110094614
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
SMILESCC1(C(=O)NCc2cccnc2)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C13H19N3O4S/c1-13(10-16(6-7-20-13)21(2,18)19)12(17)15-9-11-4-3-5-14-8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyPLRWNYBHFUCADI-UHFFFAOYSA-N
XLogP-0.25
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124977452
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
1-(4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-pyridin-3-ylethanone
CID 131911352
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921877
8-methylsulfonyl-4-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131650651
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125023247
(2R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125023248
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
(2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 125000351
(5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide
CID 100815912
(3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362803
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of 2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide (CID 110094614) is 2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for 2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for 2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide is CC1(C(=O)NCc2cccnc2)CN(S(C)(=O)=O)CCO1.
What is the InChIKey of 2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide?
The InChIKey is PLRWNYBHFUCADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-13(10-16(6-7-20-13)21(2,18)19)12(17)15-9-11-4-3-5-14-8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide?
2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 110094614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).