2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide

C9H18N2O3S — CID 139973158

IUPAC2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCN(C)S(C)(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-8(2)9(12)10-6-5-7-11(3)15(4,13)14/h1,5-7H2,2-4H3,(H,10,12)
InChIKeyOXTYCZOXUPNNHC-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.04
Rot. Bonds6

About 2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide

2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide (PubChem CID 139973158) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide
PubChem CID139973158
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCN(C)S(C)(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-8(2)9(12)10-6-5-7-11(3)15(4,13)14/h1,5-7H2,2-4H3,(H,10,12)
InChIKeyOXTYCZOXUPNNHC-UHFFFAOYSA-N
XLogP-0.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propanaminium, n,n-dimethyl-n-(3-((2-methyl-1-oxo-2-propen-1-yl)amino)propyl)-3-sulfo-, inner salt
CID 78883
4-((3-Methacrylamidopropyl)dimethylammonio)butane-1-sulfonate
CID 86662543
[3-(Methacryloylamino)propyl]dimethyl(3-sulfopropyl)ammonium hydroxide inner salt, 96%
CID 78884
[3-(Methacryloylamino)propyl]dimethyl(3-sulfopropyl) ammonium hydroxide
CID 18615793
Dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-(4-sulfobutyl)azanium
CID 86662544
Dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-(2-sulfoethyl)azanium
CID 89906866
Hydron;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;sulfate
CID 91997131
Trifluoromethanesulfonate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 117600476
2-{Dimethyl[4-(2-methylprop-2-enamido)butyl]azaniumyl}ethane-1-sulfonate
CID 138394520
Diethyl-methyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;trifluoromethanesulfonate
CID 140187427
Methyl-[3-(2-methylprop-2-enoylamino)propyl]-dipropylazanium;trifluoromethanesulfonate
CID 140187456
Ethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;trifluoromethanesulfonate
CID 140187486

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide (CID 139973158) is 2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide is C=C(C)C(=O)NCCCN(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide?
The InChIKey is OXTYCZOXUPNNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-8(2)9(12)10-6-5-7-11(3)15(4,13)14/h1,5-7H2,2-4H3,(H,10,12).
What are the key properties of 2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide?
2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide has a molecular weight of 234.32 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 139973158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).