2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid

C15H26N2O6S — CID 129008288

IUPAC2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)CC1CN(C(=O)C2CCCCC2)CCO1
InChIInChI=1S/C15H26N2O6S/c1-24(21,22)17(11-14(18)19)10-13-9-16(7-8-23-13)15(20)12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyZUOWFMWYELTVCL-UHFFFAOYSA-N
MW362.45 g/mol
LogP0.14
Rot. Bonds6

About 2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid

2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid (PubChem CID 129008288) has the molecular formula C15H26N2O6S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
PubChem CID129008288
Molecular FormulaC15H26N2O6S
Molecular Weight362.45 g/mol
Exact Mass362.15
IUPAC Name2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)CC1CN(C(=O)C2CCCCC2)CCO1
InChIInChI=1S/C15H26N2O6S/c1-24(21,22)17(11-14(18)19)10-13-9-16(7-8-23-13)15(20)12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyZUOWFMWYELTVCL-UHFFFAOYSA-N
XLogP0.14
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid
CID 129468924
2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129323721
2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129324664
2-[methylsulfonyl-[[(2R)-4-(1,3-thiazole-4-carbonyl)morpholin-2-yl]methyl]amino]acetic acid
CID 129468401
2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129468965
2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129325444
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248008
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324175
2-[[(2S)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324174
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 113149668
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The IUPAC name of 2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid (CID 129008288) is 2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The canonical SMILES for 2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid is CS(=O)(=O)N(CC(=O)O)CC1CN(C(=O)C2CCCCC2)CCO1.
What is the InChIKey of 2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The InChIKey is ZUOWFMWYELTVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6S/c1-24(21,22)17(11-14(18)19)10-13-9-16(7-8-23-13)15(20)12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid has a molecular weight of 362.45 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid is sourced from PubChem (CID 129008288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).