2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide

C8H16N2O3S — CID 139973136

IUPAC2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCN(C)S(C)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-7(2)8(11)9-5-6-10(3)14(4,12)13/h1,5-6H2,2-4H3,(H,9,11)
InChIKeyJCIWUXLOEQPIPK-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.43
Rot. Bonds5

About 2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide

2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide (PubChem CID 139973136) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide
PubChem CID139973136
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCN(C)S(C)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-7(2)8(11)9-5-6-10(3)14(4,12)13/h1,5-6H2,2-4H3,(H,9,11)
InChIKeyJCIWUXLOEQPIPK-UHFFFAOYSA-N
XLogP-0.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.43
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide (CID 139973136) is 2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide is C=C(C)C(=O)NCCN(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide?
The InChIKey is JCIWUXLOEQPIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7(2)8(11)9-5-6-10(3)14(4,12)13/h1,5-6H2,2-4H3,(H,9,11).
What are the key properties of 2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide?
2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide has a molecular weight of 220.29 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 139973136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).