N-(propylsulfonylmethyl)prop-2-enamide

C7H13NO3S — CID 23287250

IUPACN-(propylsulfonylmethyl)prop-2-enamide
SMILESC=CC(=O)NCS(=O)(=O)CCC
InChIInChI=1S/C7H13NO3S/c1-3-5-12(10,11)6-8-7(9)4-2/h4H,2-3,5-6H2,1H3,(H,8,9)
InChIKeySYVVGUDDZLRTJR-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.07
Rot. Bonds5

About N-(propylsulfonylmethyl)prop-2-enamide

N-(propylsulfonylmethyl)prop-2-enamide (PubChem CID 23287250) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is N-(propylsulfonylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(propylsulfonylmethyl)prop-2-enamide
PubChem CID23287250
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC NameN-(propylsulfonylmethyl)prop-2-enamide
SMILESC=CC(=O)NCS(=O)(=O)CCC
InChIInChI=1S/C7H13NO3S/c1-3-5-12(10,11)6-8-7(9)4-2/h4H,2-3,5-6H2,1H3,(H,8,9)
InChIKeySYVVGUDDZLRTJR-UHFFFAOYSA-N
XLogP0.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(propylsulfonylmethyl)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

Related Compounds

(E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide
CID 162923995
(Z)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide
CID 162923996
Acrylamidomethyl propane sulfonate
CID 22501373
(E)-N-methyl-3-methylsulfinylprop-2-enamide
CID 15230427
N-(2-methylsulfinylethyl)prop-2-enamide
CID 19026483
N-methyl-3-propylsulfonylprop-2-enamide
CID 54384095
N-(2-methylsulfonylethyl)prop-2-enamide
CID 60920366
N-(methylsulfonylmethyl)prop-2-enamide
CID 87373024
N-methylprop-2-enamide;propane-1-sulfonic acid
CID 87912780
N-(2-ethylsulfonylethyl)prop-2-enamide
CID 88902547
N-(3-methylbutylsulfonylmethyl)prop-2-enamide
CID 91159830
N-(2-propan-2-ylsulfonylethyl)prop-2-enamide
CID 130271934

Frequently Asked Questions

What is the IUPAC name of N-(propylsulfonylmethyl)prop-2-enamide?
The IUPAC name of N-(propylsulfonylmethyl)prop-2-enamide (CID 23287250) is N-(propylsulfonylmethyl)prop-2-enamide.
What is the SMILES notation for N-(propylsulfonylmethyl)prop-2-enamide?
The canonical SMILES for N-(propylsulfonylmethyl)prop-2-enamide is C=CC(=O)NCS(=O)(=O)CCC.
What is the InChIKey of N-(propylsulfonylmethyl)prop-2-enamide?
The InChIKey is SYVVGUDDZLRTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-3-5-12(10,11)6-8-7(9)4-2/h4H,2-3,5-6H2,1H3,(H,8,9).
What are the key properties of N-(propylsulfonylmethyl)prop-2-enamide?
N-(propylsulfonylmethyl)prop-2-enamide has a molecular weight of 191.25 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylsulfonylmethyl)prop-2-enamide is sourced from PubChem (CID 23287250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).