N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide

C7H14N2O3S — CID 174440551

IUPACN-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(N)S(C)(=O)=O
InChIInChI=1S/C7H14N2O3S/c1-5(2)7(10)9-4-6(8)13(3,11)12/h6H,1,4,8H2,2-3H3,(H,9,10)
InChIKeyVSHNYJFJHAVDFO-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.99
Rot. Bonds4

About N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide

N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide (PubChem CID 174440551) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide
PubChem CID174440551
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(N)S(C)(=O)=O
InChIInChI=1S/C7H14N2O3S/c1-5(2)7(10)9-4-6(8)13(3,11)12/h6H,1,4,8H2,2-3H3,(H,9,10)
InChIKeyVSHNYJFJHAVDFO-UHFFFAOYSA-N
XLogP-0.99
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.99
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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Related Compounds

1-hydroxy-2-(2-methylprop-2-enoylamino)ethanesulfonic acid
CID 54533259
2-amino-3-(2-methylprop-2-enoylamino)propane-1-sulfinate
CID 174649622
[2-methyl-3-(2-methylprop-2-enoylamino)propyl] methanesulfonate
CID 87327562
N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 159380399
hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 87755917
potassium 2-methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
CID 138705740
2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide
CID 89088591
trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943190
2-(2-methylprop-2-enoylamino)-1-phenylethanesulfonic acid
CID 149433485
N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide
CID 139973185
2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
CID 174986038
2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 129238388

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide (CID 174440551) is N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC(N)S(C)(=O)=O.
What is the InChIKey of N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide?
The InChIKey is VSHNYJFJHAVDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-5(2)7(10)9-4-6(8)13(3,11)12/h6H,1,4,8H2,2-3H3,(H,9,10).
What are the key properties of N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide?
N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide has a molecular weight of 206.27 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 174440551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).