2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid

C15H21ClN2O5S — CID 122072081

IUPAC2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCOC(CN(C)CC(=O)O)C1
InChIInChI=1S/C15H21ClN2O5S/c1-11-13(16)4-3-5-14(11)24(21,22)18-6-7-23-12(9-18)8-17(2)10-15(19)20/h3-5,12H,6-10H2,1-2H3,(H,19,20)
InChIKeyCIPYSJMBEYTTLI-UHFFFAOYSA-N
MW376.86 g/mol
LogP1.05
Rot. Bonds6

About 2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122072081) has the molecular formula C15H21ClN2O5S and a molecular weight of 376.86 g/mol. Its IUPAC name is 2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122072081
Molecular FormulaC15H21ClN2O5S
Molecular Weight376.86 g/mol
Exact Mass376.09
IUPAC Name2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCOC(CN(C)CC(=O)O)C1
InChIInChI=1S/C15H21ClN2O5S/c1-11-13(16)4-3-5-14(11)24(21,22)18-6-7-23-12(9-18)8-17(2)10-15(19)20/h3-5,12H,6-10H2,1-2H3,(H,19,20)
InChIKeyCIPYSJMBEYTTLI-UHFFFAOYSA-N
XLogP1.05
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 122072108
2-[[4-(4-tert-butylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 122072069
2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043689
2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66434008
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
2-[[4-[[2-(2-chlorophenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122000631
2-[[4-(5-chlorothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128972799
2-[[4-(2,4-dichloro-5-fluorobenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128992651
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110710630
2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129343303

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid (CID 122072081) is 2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid is Cc1c(Cl)cccc1S(=O)(=O)N1CCOC(CN(C)CC(=O)O)C1.
What is the InChIKey of 2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is CIPYSJMBEYTTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O5S/c1-11-13(16)4-3-5-14(11)24(21,22)18-6-7-23-12(9-18)8-17(2)10-15(19)20/h3-5,12H,6-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 376.86 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122072081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).