2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid

C12H22N2O4S — CID 64616223

IUPAC2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
SMILESCN(C1CCCCC1)S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4S/c1-13(11-5-3-2-4-6-11)19(17,18)14-8-10(9-14)7-12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyWZFWCZSFKUUVGT-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.90
Rot. Bonds5

About 2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid

2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid (PubChem CID 64616223) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
PubChem CID64616223
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
SMILESCN(C1CCCCC1)S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4S/c1-13(11-5-3-2-4-6-11)19(17,18)14-8-10(9-14)7-12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyWZFWCZSFKUUVGT-UHFFFAOYSA-N
XLogP0.90
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[Cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361576
1-[Cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 43245120
4-[(4-Methylpiperidin-1-yl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60827794
4-[(3-Methylpiperidin-1-yl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60827954
4-[(3,5-Dimethylpiperidin-1-yl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60828128
4-[[Cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid
CID 60828293
1-[Cyclohexyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60857582
1-[Propan-2-yl(propyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60857615
1-[Butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60857783
1-[Butan-2-yl(ethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858101
1-[Methyl(3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858125
1-(Azetidine-1-sulfonyl)piperidine-4-carboxylic acid
CID 60858273

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid (CID 64616223) is 2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid is CN(C1CCCCC1)S(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid?
The InChIKey is WZFWCZSFKUUVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-13(11-5-3-2-4-6-11)19(17,18)14-8-10(9-14)7-12(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid?
2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid has a molecular weight of 290.38 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).