N-(ethylaminomethylsulfonyl)prop-2-enamide

C6H12N2O3S — CID 175696234

IUPACN-(ethylaminomethylsulfonyl)prop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)CNCC
InChIInChI=1S/C6H12N2O3S/c1-3-6(9)8-12(10,11)5-7-4-2/h3,7H,1,4-5H2,2H3,(H,8,9)
InChIKeyNZCSEOHBAZCXQY-UHFFFAOYSA-N
MW192.24 g/mol
LogP-0.81
Rot. Bonds5

About N-(ethylaminomethylsulfonyl)prop-2-enamide

N-(ethylaminomethylsulfonyl)prop-2-enamide (PubChem CID 175696234) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is N-(ethylaminomethylsulfonyl)prop-2-enamide.

Molecular Properties

Compound NameN-(ethylaminomethylsulfonyl)prop-2-enamide
PubChem CID175696234
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC NameN-(ethylaminomethylsulfonyl)prop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)CNCC
InChIInChI=1S/C6H12N2O3S/c1-3-6(9)8-12(10,11)5-7-4-2/h3,7H,1,4-5H2,2H3,(H,8,9)
InChIKeyNZCSEOHBAZCXQY-UHFFFAOYSA-N
XLogP-0.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
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-(ethylaminomethylsulfonyl)prop-2-enamide?
The IUPAC name of N-(ethylaminomethylsulfonyl)prop-2-enamide (CID 175696234) is N-(ethylaminomethylsulfonyl)prop-2-enamide.
What is the SMILES notation for N-(ethylaminomethylsulfonyl)prop-2-enamide?
The canonical SMILES for N-(ethylaminomethylsulfonyl)prop-2-enamide is C=CC(=O)NS(=O)(=O)CNCC.
What is the InChIKey of N-(ethylaminomethylsulfonyl)prop-2-enamide?
The InChIKey is NZCSEOHBAZCXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-3-6(9)8-12(10,11)5-7-4-2/h3,7H,1,4-5H2,2H3,(H,8,9).
What are the key properties of N-(ethylaminomethylsulfonyl)prop-2-enamide?
N-(ethylaminomethylsulfonyl)prop-2-enamide has a molecular weight of 192.24 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylaminomethylsulfonyl)prop-2-enamide is sourced from PubChem (CID 175696234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).