N-[2-(methanesulfonamido)ethyl]but-2-enamide

C7H14N2O3S — CID 112727079

IUPACN-[2-(methanesulfonamido)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C7H14N2O3S/c1-3-4-7(10)8-5-6-9-13(2,11)12/h3-4,9H,5-6H2,1-2H3,(H,8,10)
InChIKeyBVCGDLONMHRHNY-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.77
Rot. Bonds5

About N-[2-(methanesulfonamido)ethyl]but-2-enamide

N-[2-(methanesulfonamido)ethyl]but-2-enamide (PubChem CID 112727079) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]but-2-enamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]but-2-enamide
PubChem CID112727079
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-[2-(methanesulfonamido)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C7H14N2O3S/c1-3-4-7(10)8-5-6-9-13(2,11)12/h3-4,9H,5-6H2,1-2H3,(H,8,10)
InChIKeyBVCGDLONMHRHNY-UHFFFAOYSA-N
XLogP-0.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.77
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

N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide
CID 127266610
(Z)-N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide
CID 129561865
N-[2-(methanesulfonamido)ethyl]-2-methylprop-2-enamide
CID 18668270
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide
CID 43546111
N-[2-(methanesulfonamido)ethyl]prop-2-enamide
CID 43616709
N-[2-(ethylsulfonylamino)ethyl]prop-2-enamide
CID 54338727
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide
CID 58837153
2-(But-2-enoylamino)ethanesulfinate
CID 89323019
(E)-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)but-2-enamide
CID 90066055
N-(5-oxo-1,2-dihydropyrrol-4-yl)methanesulfonamide
CID 139651041
Methanesulfonate;trimethyl-[2-(prop-2-enoylamino)ethyl]azanium
CID 140044142
Dimethyl-[2-(prop-2-enoylamino)ethyl]azanium;methanesulfonate
CID 141396718

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]but-2-enamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]but-2-enamide (CID 112727079) is N-[2-(methanesulfonamido)ethyl]but-2-enamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]but-2-enamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]but-2-enamide is CC=CC(=O)NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]but-2-enamide?
The InChIKey is BVCGDLONMHRHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-3-4-7(10)8-5-6-9-13(2,11)12/h3-4,9H,5-6H2,1-2H3,(H,8,10).
What are the key properties of N-[2-(methanesulfonamido)ethyl]but-2-enamide?
N-[2-(methanesulfonamido)ethyl]but-2-enamide has a molecular weight of 206.27 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]but-2-enamide is sourced from PubChem (CID 112727079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).