(E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide

C10H17NO5S — CID 88788500

IUPAC(E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide
SMILESC=CCS(=O)(=O)/C=C/C(=O)N(CCO)CCO
InChIInChI=1S/C10H17NO5S/c1-2-8-17(15,16)9-3-10(14)11(4-6-12)5-7-13/h2-3,9,12-13H,1,4-8H2/b9-3+
InChIKeyXEPNVTWENRAMGR-YCRREMRBSA-N
MW263.31 g/mol
LogP-1.09
Rot. Bonds8

About (E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide

(E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide (PubChem CID 88788500) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is (E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide
PubChem CID88788500
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name(E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide
SMILESC=CCS(=O)(=O)/C=C/C(=O)N(CCO)CCO
InChIInChI=1S/C10H17NO5S/c1-2-8-17(15,16)9-3-10(14)11(4-6-12)5-7-13/h2-3,9,12-13H,1,4-8H2/b9-3+
InChIKeyXEPNVTWENRAMGR-YCRREMRBSA-N
XLogP-1.09
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide?
The IUPAC name of (E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide (CID 88788500) is (E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide.
What is the SMILES notation for (E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide?
The canonical SMILES for (E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide is C=CCS(=O)(=O)/C=C/C(=O)N(CCO)CCO.
What is the InChIKey of (E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide?
The InChIKey is XEPNVTWENRAMGR-YCRREMRBSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-2-8-17(15,16)9-3-10(14)11(4-6-12)5-7-13/h2-3,9,12-13H,1,4-8H2/b9-3+.
What are the key properties of (E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide?
(E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide has a molecular weight of 263.31 g/mol, XLogP of -1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide is sourced from PubChem (CID 88788500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).