4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid

C14H24N2O6S — CID 119216248

IUPAC4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)CC(=O)N2CCOCC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O6S/c1-10-2-4-11(5-3-10)15-23(20,21)9-13(17)16-6-7-22-8-12(16)14(18)19/h10-12,15H,2-9H2,1H3,(H,18,19)
InChIKeyXIYOODPUUOJDAK-UHFFFAOYSA-N
MW348.42 g/mol
LogP-0.20
Rot. Bonds5

About 4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid

4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid (PubChem CID 119216248) has the molecular formula C14H24N2O6S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid
PubChem CID119216248
Molecular FormulaC14H24N2O6S
Molecular Weight348.42 g/mol
Exact Mass348.14
IUPAC Name4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)CC(=O)N2CCOCC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O6S/c1-10-2-4-11(5-3-10)15-23(20,21)9-13(17)16-6-7-22-8-12(16)14(18)19/h10-12,15H,2-9H2,1H3,(H,18,19)
InChIKeyXIYOODPUUOJDAK-UHFFFAOYSA-N
XLogP-0.20
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371560
4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid
CID 119216843
(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid
CID 125151644
4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
CID 112555118
(3S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153948
(3S)-4-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153950
(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
2-(1,4-diazepan-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 119418702
4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid
CID 120521645
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride
CID 119648333
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 102553532
(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 124513489

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid (CID 119216248) is 4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid is CC1CCC(NS(=O)(=O)CC(=O)N2CCOCC2C(=O)O)CC1.
What is the InChIKey of 4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid?
The InChIKey is XIYOODPUUOJDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6S/c1-10-2-4-11(5-3-10)15-23(20,21)9-13(17)16-6-7-22-8-12(16)14(18)19/h10-12,15H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid?
4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).