ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate

C12H19NO4S — CID 113334772

IUPACethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate
SMILESC#CCN(CC1CC1)S(=O)(=O)CCC(=O)OCC
InChIInChI=1S/C12H19NO4S/c1-3-8-13(10-11-5-6-11)18(15,16)9-7-12(14)17-4-2/h1,11H,4-10H2,2H3
InChIKeyDKXWMMDSVRPGPZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.61
Rot. Bonds8

About ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate

ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate (PubChem CID 113334772) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate
PubChem CID113334772
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Nameethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate
SMILESC#CCN(CC1CC1)S(=O)(=O)CCC(=O)OCC
InChIInChI=1S/C12H19NO4S/c1-3-8-13(10-11-5-6-11)18(15,16)9-7-12(14)17-4-2/h1,11H,4-10H2,2H3
InChIKeyDKXWMMDSVRPGPZ-UHFFFAOYSA-N
XLogP0.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
CID 79702626
N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide
CID 115556523
methyl 3-[[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]-methylamino]propanoate
CID 115556499
ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
CID 54998323
N-(cyclopropylmethyl)-N-prop-2-ynylcyclopropanesulfonamide
CID 115556536
N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide
CID 115556438
N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide
CID 115556534
ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate
CID 134086046
ethyl 3-[cyclopropylmethyl-(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 52763653
ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
CID 106608776
ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159
[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114812579

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate (CID 113334772) is ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate is C#CCN(CC1CC1)S(=O)(=O)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate?
The InChIKey is DKXWMMDSVRPGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-3-8-13(10-11-5-6-11)18(15,16)9-7-12(14)17-4-2/h1,11H,4-10H2,2H3.
What are the key properties of ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate?
ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate has a molecular weight of 273.35 g/mol, XLogP of 0.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate is sourced from PubChem (CID 113334772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).