2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane

C10H24N2O4S — CID 142609281

IUPAC2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane
SMILESC=C(C)C(=O)OCCN.CC.NCCS(=O)O
InChIInChI=1S/C6H11NO2.C2H7NO2S.C2H6/c1-5(2)6(8)9-4-3-7;3-1-2-6(4)5;1-2/h1,3-4,7H2,2H3;1-3H2,(H,4,5);1-2H3
InChIKeySGYNYTPCVWGGRX-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.26
Rot. Bonds5

About 2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane

2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane (PubChem CID 142609281) has the molecular formula C10H24N2O4S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane.

Molecular Properties

Compound Name2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane
PubChem CID142609281
Molecular FormulaC10H24N2O4S
Molecular Weight268.38 g/mol
Exact Mass268.15
IUPAC Name2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane
SMILESC=C(C)C(=O)OCCN.CC.NCCS(=O)O
InChIInChI=1S/C6H11NO2.C2H7NO2S.C2H6/c1-5(2)6(8)9-4-3-7;3-1-2-6(4)5;1-2/h1,3-4,7H2,2H3;1-3H2,(H,4,5);1-2H3
InChIKeySGYNYTPCVWGGRX-UHFFFAOYSA-N
XLogP0.26
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane?
The IUPAC name of 2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane (CID 142609281) is 2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane.
What is the SMILES notation for 2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane?
The canonical SMILES for 2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane is C=C(C)C(=O)OCCN.CC.NCCS(=O)O.
What is the InChIKey of 2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane?
The InChIKey is SGYNYTPCVWGGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H7NO2S.C2H6/c1-5(2)6(8)9-4-3-7;3-1-2-6(4)5;1-2/h1,3-4,7H2,2H3;1-3H2,(H,4,5);1-2H3.
What are the key properties of 2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane?
2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane has a molecular weight of 268.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane is sourced from PubChem (CID 142609281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).