2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate

C13H19N2O3S- — CID 2224989

IUPAC2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate
SMILESCCC[C@H](C)/N=C(\[O-])c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-4-7-10(2)14-13(16)11-8-5-6-9-12(11)15-19(3,17)18/h5-6,8-10,15H,4,7H2,1-3H3,(H,14,16)/p-1/t10-/m0/s1
InChIKeyVLHGPPSEXLHCOM-JTQLQIEISA-M
MW283.37 g/mol
LogP1.35
Rot. Bonds6

About 2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate

2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate (PubChem CID 2224989) has the molecular formula C13H19N2O3S- and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate
PubChem CID2224989
Molecular FormulaC13H19N2O3S-
Molecular Weight283.37 g/mol
Exact Mass283.11
IUPAC Name2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate
SMILESCCC[C@H](C)/N=C(\[O-])c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-4-7-10(2)14-13(16)11-8-5-6-9-12(11)15-19(3,17)18/h5-6,8-10,15H,4,7H2,1-3H3,(H,14,16)/p-1/t10-/m0/s1
InChIKeyVLHGPPSEXLHCOM-JTQLQIEISA-M
XLogP1.35
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate
CID 2236713
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
(2S)-2-[[2-(methanesulfonamido)benzoyl]amino]hexanoic acid
CID 120615522
2-[2-(methanesulfonamido)phenyl]benzoate
CID 171730361
3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylpropanoic acid
CID 119237314
4-[2-(methanesulfonamido)phenyl]-4-oxobutanoic acid
CID 154453322
N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119996445
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide
CID 24693382
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide
CID 43743986
[2-(butylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740464
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 18202474

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate?
The IUPAC name of 2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate (CID 2224989) is 2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate.
What is the SMILES notation for 2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate?
The canonical SMILES for 2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate is CCC[C@H](C)/N=C(\[O-])c1ccccc1NS(C)(=O)=O.
What is the InChIKey of 2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate?
The InChIKey is VLHGPPSEXLHCOM-JTQLQIEISA-M. The full InChI is InChI=1S/C13H20N2O3S/c1-4-7-10(2)14-13(16)11-8-5-6-9-12(11)15-19(3,17)18/h5-6,8-10,15H,4,7H2,1-3H3,(H,14,16)/p-1/t10-/m0/s1.
What are the key properties of 2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate?
2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate has a molecular weight of 283.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate is sourced from PubChem (CID 2224989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).