N-methyl-3-propylsulfonylprop-2-enamide

C7H13NO3S — CID 54384095

IUPACN-methyl-3-propylsulfonylprop-2-enamide
SMILESCCCS(=O)(=O)C=CC(=O)NC
InChIInChI=1S/C7H13NO3S/c1-3-5-12(10,11)6-4-7(9)8-2/h4,6H,3,5H2,1-2H3,(H,8,9)
InChIKeyVBZYIHMONDJTKE-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.07
Rot. Bonds4

About N-methyl-3-propylsulfonylprop-2-enamide

N-methyl-3-propylsulfonylprop-2-enamide (PubChem CID 54384095) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is N-methyl-3-propylsulfonylprop-2-enamide.

Molecular Properties

Compound NameN-methyl-3-propylsulfonylprop-2-enamide
PubChem CID54384095
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC NameN-methyl-3-propylsulfonylprop-2-enamide
SMILESCCCS(=O)(=O)C=CC(=O)NC
InChIInChI=1S/C7H13NO3S/c1-3-5-12(10,11)6-4-7(9)8-2/h4,6H,3,5H2,1-2H3,(H,8,9)
InChIKeyVBZYIHMONDJTKE-UHFFFAOYSA-N
XLogP0.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'}

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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
(2Z)-3-(Propane-1-sulfinyl)-N-propylprop-2-enamide
CID 5384055
(2Z)-3-(Butane-1-sulfinyl)-N-propylprop-2-enamide
CID 5384056
(E)-N-methyl-3-methylsulfinylprop-2-enamide
CID 15230427
3-butylsulfinyl-N-propylprop-2-enamide
CID 327894
N-(2-methylsulfinylethyl)prop-2-enamide
CID 19026483
2-ethenylsulfonyl-N-methylacetamide
CID 19377270
2-(Prop-2-enoylamino)ethanesulfonate
CID 21277661
N-(propylsulfonylmethyl)prop-2-enamide
CID 23287250
N-(2-tert-butylsulfonylethyl)prop-2-enamide
CID 58441447

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propylsulfonylprop-2-enamide?
The IUPAC name of N-methyl-3-propylsulfonylprop-2-enamide (CID 54384095) is N-methyl-3-propylsulfonylprop-2-enamide.
What is the SMILES notation for N-methyl-3-propylsulfonylprop-2-enamide?
The canonical SMILES for N-methyl-3-propylsulfonylprop-2-enamide is CCCS(=O)(=O)C=CC(=O)NC.
What is the InChIKey of N-methyl-3-propylsulfonylprop-2-enamide?
The InChIKey is VBZYIHMONDJTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-3-5-12(10,11)6-4-7(9)8-2/h4,6H,3,5H2,1-2H3,(H,8,9).
What are the key properties of N-methyl-3-propylsulfonylprop-2-enamide?
N-methyl-3-propylsulfonylprop-2-enamide has a molecular weight of 191.25 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propylsulfonylprop-2-enamide is sourced from PubChem (CID 54384095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).