ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate

C14H26N2O5S — CID 52873250

IUPACethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)CS(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H26N2O5S/c1-4-21-14(18)11(3)15-13(17)9-22(19,20)16-12-7-5-10(2)6-8-12/h10-12,16H,4-9H2,1-3H3,(H,15,17)/t10?,11-,12?/m0/s1
InChIKeyCHIRYCCMVYCKTB-CXQJBGSLSA-N
MW334.44 g/mol
LogP0.55
Rot. Bonds7

About ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate

ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate (PubChem CID 52873250) has the molecular formula C14H26N2O5S and a molecular weight of 334.44 g/mol. Its IUPAC name is ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate
PubChem CID52873250
Molecular FormulaC14H26N2O5S
Molecular Weight334.44 g/mol
Exact Mass334.16
IUPAC Nameethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)CS(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H26N2O5S/c1-4-21-14(18)11(3)15-13(17)9-22(19,20)16-12-7-5-10(2)6-8-12/h10-12,16H,4-9H2,1-3H3,(H,15,17)/t10?,11-,12?/m0/s1
InChIKeyCHIRYCCMVYCKTB-CXQJBGSLSA-N
XLogP0.55
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate with MolForge

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 120507600
2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 95284178
N-(4-aminocyclohexyl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 119479042
N-(2-amino-2-ethylbutyl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 119643886
2-[(4-methylcyclohexyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 154747604
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61457089
N-[1-(aminomethyl)cyclopentyl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 119568443
ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate
CID 94200698
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl 2-(3-aminopropanoylamino)propanoate
CID 61499067

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate?
The IUPAC name of ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate (CID 52873250) is ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate.
What is the SMILES notation for ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate?
The canonical SMILES for ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate is CCOC(=O)[C@H](C)NC(=O)CS(=O)(=O)NC1CCC(C)CC1.
What is the InChIKey of ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate?
The InChIKey is CHIRYCCMVYCKTB-CXQJBGSLSA-N. The full InChI is InChI=1S/C14H26N2O5S/c1-4-21-14(18)11(3)15-13(17)9-22(19,20)16-12-7-5-10(2)6-8-12/h10-12,16H,4-9H2,1-3H3,(H,15,17)/t10?,11-,12?/m0/s1.
What are the key properties of ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate?
ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate has a molecular weight of 334.44 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate is sourced from PubChem (CID 52873250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).