ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate

C8H17N3O5S — CID 43546343

IUPACethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C8H17N3O5S/c1-3-16-7(12)6-10-8(13)9-4-5-11-17(2,14)15/h11H,3-6H2,1-2H3,(H2,9,10,13)
InChIKeyUIJAQTQYZXQXHH-UHFFFAOYSA-N
MW267.31 g/mol
LogP-1.60
Rot. Bonds7

About ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate

ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate (PubChem CID 43546343) has the molecular formula C8H17N3O5S and a molecular weight of 267.31 g/mol. Its IUPAC name is ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate
PubChem CID43546343
Molecular FormulaC8H17N3O5S
Molecular Weight267.31 g/mol
Exact Mass267.09
IUPAC Nameethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C8H17N3O5S/c1-3-16-7(12)6-10-8(13)9-4-5-11-17(2,14)15/h11H,3-6H2,1-2H3,(H2,9,10,13)
InChIKeyUIJAQTQYZXQXHH-UHFFFAOYSA-N
XLogP-1.60
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate (CID 43546343) is ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCCNS(C)(=O)=O.
What is the InChIKey of ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate?
The InChIKey is UIJAQTQYZXQXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O5S/c1-3-16-7(12)6-10-8(13)9-4-5-11-17(2,14)15/h11H,3-6H2,1-2H3,(H2,9,10,13).
What are the key properties of ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate?
ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate has a molecular weight of 267.31 g/mol, XLogP of -1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate is sourced from PubChem (CID 43546343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).