N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide

C12H20N2O4S — CID 151596771

IUPACN-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCS(=O)(=O)CCCNC(=O)C=C
InChIInChI=1S/C12H20N2O4S/c1-3-11(15)13-7-5-9-19(17,18)10-6-8-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKeyQJQBGJFHTMZMTJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.21
Rot. Bonds10

About N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide

N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide (PubChem CID 151596771) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide
PubChem CID151596771
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCS(=O)(=O)CCCNC(=O)C=C
InChIInChI=1S/C12H20N2O4S/c1-3-11(15)13-7-5-9-19(17,18)10-6-8-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKeyQJQBGJFHTMZMTJ-UHFFFAOYSA-N
XLogP-0.21
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide?
The IUPAC name of N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide (CID 151596771) is N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide is C=CC(=O)NCCCS(=O)(=O)CCCNC(=O)C=C.
What is the InChIKey of N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide?
The InChIKey is QJQBGJFHTMZMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-3-11(15)13-7-5-9-19(17,18)10-6-8-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16).
What are the key properties of N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide?
N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide has a molecular weight of 288.37 g/mol, XLogP of -0.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(prop-2-enoylamino)propylsulfonyl]propyl]prop-2-enamide is sourced from PubChem (CID 151596771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).