N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide

C9H18N2O3S — CID 139973186

IUPACN-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)CCNS(C)(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-7(2)9(12)11-8(3)5-6-10-15(4,13)14/h8,10H,1,5-6H2,2-4H3,(H,11,12)
InChIKeyCOTQQMPJYVLZHW-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.01
Rot. Bonds6

About N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide

N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide (PubChem CID 139973186) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide
PubChem CID139973186
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)CCNS(C)(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-7(2)9(12)11-8(3)5-6-10-15(4,13)14/h8,10H,1,5-6H2,2-4H3,(H,11,12)
InChIKeyCOTQQMPJYVLZHW-UHFFFAOYSA-N
XLogP0.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide
CID 139973185
2-methyl-N-octan-2-ylprop-2-enamide
CID 54184108
2-methyl-N-tetradecan-2-ylprop-2-enamide
CID 91551786
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
3-hydroxy-3-(2-methylprop-2-enoylamino)propane-1-sulfonic acid
CID 54469633
triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943537
bis(2-methylprop-2-enoylamino)methanesulfonate
CID 140789010
N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide
CID 89088589
N-[4-(dibutylamino)butan-2-yl]-2-methylprop-2-enamide;propane-1-sulfonic acid
CID 174880311
3-[3-(2-methylprop-2-enoylamino)butyl-dipropylazaniumyl]propane-1-sulfonate
CID 134346514
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956
3-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336520

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide (CID 139973186) is N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)CCNS(C)(=O)=O.
What is the InChIKey of N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide?
The InChIKey is COTQQMPJYVLZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-7(2)9(12)11-8(3)5-6-10-15(4,13)14/h8,10H,1,5-6H2,2-4H3,(H,11,12).
What are the key properties of N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide?
N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide has a molecular weight of 234.32 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 139973186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).