ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate

C14H28N2O4S — CID 51891961

IUPACethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H28N2O4S/c1-5-20-14(17)11-16(12(2)3)21(18,19)15(4)13-9-7-6-8-10-13/h12-13H,5-11H2,1-4H3
InChIKeyJUNUPPBTQJOMFQ-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.77
Rot. Bonds7

About ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate

ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate (PubChem CID 51891961) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate
PubChem CID51891961
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Nameethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H28N2O4S/c1-5-20-14(17)11-16(12(2)3)21(18,19)15(4)13-9-7-6-8-10-13/h12-13H,5-11H2,1-4H3
InChIKeyJUNUPPBTQJOMFQ-UHFFFAOYSA-N
XLogP1.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate
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ethyl 2-[benzyl(cycloheptyl)amino]acetate
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ethyl 2-[morpholin-4-ylsulfonyl(propan-2-yl)amino]acetate
CID 51087618
ethyl 2-[methyl(oxan-4-yl)amino]acetate
CID 43611424
ethyl 3-cyclopentylsulfonylbutanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate (CID 51891961) is ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate?
The InChIKey is JUNUPPBTQJOMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-5-20-14(17)11-16(12(2)3)21(18,19)15(4)13-9-7-6-8-10-13/h12-13H,5-11H2,1-4H3.
What are the key properties of ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate?
ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate has a molecular weight of 320.46 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 51891961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).