N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide

C8H16N2O3S — CID 59562241

IUPACN-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-7(2)8(11)9-5-4-6-10-14(3,12)13/h10H,1,4-6H2,2-3H3,(H,9,11)
InChIKeyVCRISFLPBBFRID-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.38
Rot. Bonds6

About N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide

N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide (PubChem CID 59562241) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide
PubChem CID59562241
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-7(2)8(11)9-5-4-6-10-14(3,12)13/h10H,1,4-6H2,2-3H3,(H,9,11)
InChIKeyVCRISFLPBBFRID-UHFFFAOYSA-N
XLogP-0.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
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 N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide (CID 59562241) is N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide?
The InChIKey is VCRISFLPBBFRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7(2)8(11)9-5-4-6-10-14(3,12)13/h10H,1,4-6H2,2-3H3,(H,9,11).
What are the key properties of N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide?
N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide has a molecular weight of 220.29 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 59562241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).