ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate

C10H20N2O4S — CID 106340223

IUPACethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate
SMILESC=C(CNCCCNS(C)(=O)=O)C(=O)OCC
InChIInChI=1S/C10H20N2O4S/c1-4-16-10(13)9(2)8-11-6-5-7-12-17(3,14)15/h11-12H,2,4-8H2,1,3H3
InChIKeyQECSRMRCAOVSCT-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.37
Rot. Bonds9

About ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate

ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate (PubChem CID 106340223) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate
PubChem CID106340223
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Nameethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate
SMILESC=C(CNCCCNS(C)(=O)=O)C(=O)OCC
InChIInChI=1S/C10H20N2O4S/c1-4-16-10(13)9(2)8-11-6-5-7-12-17(3,14)15/h11-12H,2,4-8H2,1,3H3
InChIKeyQECSRMRCAOVSCT-UHFFFAOYSA-N
XLogP-0.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate (CID 106340223) is ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate is C=C(CNCCCNS(C)(=O)=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate?
The InChIKey is QECSRMRCAOVSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-4-16-10(13)9(2)8-11-6-5-7-12-17(3,14)15/h11-12H,2,4-8H2,1,3H3.
What are the key properties of ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate?
ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate has a molecular weight of 264.35 g/mol, XLogP of -0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(methanesulfonamido)propylamino]methyl]prop-2-enoate is sourced from PubChem (CID 106340223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).