4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide

C13H18N2O4S — CID 136520750

IUPAC4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide
SMILESCc1ccccc1CS(=O)(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C13H18N2O4S/c1-10-4-2-3-5-11(10)9-20(17,18)15-6-7-19-8-12(15)13(14)16/h2-5,12H,6-9H2,1H3,(H2,14,16)
InChIKeyKHTBVAWNFNKPCQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.01
Rot. Bonds4

About 4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide

4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide (PubChem CID 136520750) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide
PubChem CID136520750
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide
SMILESCc1ccccc1CS(=O)(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C13H18N2O4S/c1-10-4-2-3-5-11(10)9-20(17,18)15-6-7-19-8-12(15)13(14)16/h2-5,12H,6-9H2,1H3,(H2,14,16)
InChIKeyKHTBVAWNFNKPCQ-UHFFFAOYSA-N
XLogP0.01
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-aminophenyl)methylsulfonyl]-N-methylmorpholine-3-carboxamide
CID 83096817
2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline
CID 106773734
4-[(2-methylphenyl)methylsulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 110314594
4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83092323
2-cyclopropyl-1-[(2-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871847
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide
CID 83094374
4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide
CID 75397867
2-[(3-methylmorpholin-4-yl)sulfonylmethyl]benzonitrile
CID 43429177
4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]morpholine-3-carboxamide
CID 106594820
4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide
CID 83101327
1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide
CID 60682897

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide (CID 136520750) is 4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide is Cc1ccccc1CS(=O)(=O)N1CCOCC1C(N)=O.
What is the InChIKey of 4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide?
The InChIKey is KHTBVAWNFNKPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-4-2-3-5-11(10)9-20(17,18)15-6-7-19-8-12(15)13(14)16/h2-5,12H,6-9H2,1H3,(H2,14,16).
What are the key properties of 4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide?
4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide is sourced from PubChem (CID 136520750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).