N-morpholin-4-ylsulfonylprop-2-enamide

C7H12N2O4S — CID 142782715

IUPACN-morpholin-4-ylsulfonylprop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H12N2O4S/c1-2-7(10)8-14(11,12)9-3-5-13-6-4-9/h2H,1,3-6H2,(H,8,10)
InChIKeyBGSPCDRDPCYVFL-UHFFFAOYSA-N
MW220.25 g/mol
LogP-1.13
Rot. Bonds3

About N-morpholin-4-ylsulfonylprop-2-enamide

N-morpholin-4-ylsulfonylprop-2-enamide (PubChem CID 142782715) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is N-morpholin-4-ylsulfonylprop-2-enamide.

Molecular Properties

Compound NameN-morpholin-4-ylsulfonylprop-2-enamide
PubChem CID142782715
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC NameN-morpholin-4-ylsulfonylprop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H12N2O4S/c1-2-7(10)8-14(11,12)9-3-5-13-6-4-9/h2H,1,3-6H2,(H,8,10)
InChIKeyBGSPCDRDPCYVFL-UHFFFAOYSA-N
XLogP-1.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-ylsulfonylprop-2-enamide?
The IUPAC name of N-morpholin-4-ylsulfonylprop-2-enamide (CID 142782715) is N-morpholin-4-ylsulfonylprop-2-enamide.
What is the SMILES notation for N-morpholin-4-ylsulfonylprop-2-enamide?
The canonical SMILES for N-morpholin-4-ylsulfonylprop-2-enamide is C=CC(=O)NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-morpholin-4-ylsulfonylprop-2-enamide?
The InChIKey is BGSPCDRDPCYVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S/c1-2-7(10)8-14(11,12)9-3-5-13-6-4-9/h2H,1,3-6H2,(H,8,10).
What are the key properties of N-morpholin-4-ylsulfonylprop-2-enamide?
N-morpholin-4-ylsulfonylprop-2-enamide has a molecular weight of 220.25 g/mol, XLogP of -1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-ylsulfonylprop-2-enamide is sourced from PubChem (CID 142782715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).