ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate

C11H22N2O4S — CID 54952527

IUPACethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-2-17-10(14)8-18(15,16)13-9-11(12)6-4-3-5-7-11/h13H,2-9,12H2,1H3
InChIKeyRUKDXEUHZDPQEO-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.13
Rot. Bonds6

About ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate

ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate (PubChem CID 54952527) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate
PubChem CID54952527
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nameethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-2-17-10(14)8-18(15,16)13-9-11(12)6-4-3-5-7-11/h13H,2-9,12H2,1H3
InChIKeyRUKDXEUHZDPQEO-UHFFFAOYSA-N
XLogP0.13
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164883
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]butanoate
CID 61457714
N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 119958900
1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine
CID 114810378
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
ethyl 2-(2-methoxyethylsulfamoyl)acetate
CID 62544965
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
CID 114464611
N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide
CID 63689180
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate
CID 61457574
ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
CID 114383986

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate?
The IUPAC name of ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate (CID 54952527) is ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate is CCOC(=O)CS(=O)(=O)NCC1(N)CCCCC1.
What is the InChIKey of ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate?
The InChIKey is RUKDXEUHZDPQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-2-17-10(14)8-18(15,16)13-9-11(12)6-4-3-5-7-11/h13H,2-9,12H2,1H3.
What are the key properties of ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate?
ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate has a molecular weight of 278.37 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate is sourced from PubChem (CID 54952527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).