methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate

C17H26N2O4S — CID 39664343

IUPACmethyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1
InChIInChI=1S/C17H26N2O4S/c1-13-6-4-5-11-19(13)14(2)12-18-24(21,22)16-9-7-15(8-10-16)17(20)23-3/h7-10,13-14,18H,4-6,11-12H2,1-3H3/t13-,14+/m0/s1
InChIKeyNXCHVFFVTCLFRT-UONOGXRCSA-N
MW354.47 g/mol
LogP2.01
Rot. Bonds6

About methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate

methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate (PubChem CID 39664343) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate
PubChem CID39664343
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Namemethyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1
InChIInChI=1S/C17H26N2O4S/c1-13-6-4-5-11-19(13)14(2)12-18-24(21,22)16-9-7-15(8-10-16)17(20)23-3/h7-10,13-14,18H,4-6,11-12H2,1-3H3/t13-,14+/m0/s1
InChIKeyNXCHVFFVTCLFRT-UONOGXRCSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate with MolForge

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Related Compounds

4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide
CID 124839638
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 42960760
methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582816
methyl 4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]benzoate
CID 115302902
methyl 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzoate
CID 103834428
methyl 4-(dicyclopropylmethylsulfamoyl)benzoate
CID 31847332
N-[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]pyridine-4-carboxamide
CID 98719912
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
methyl 3-(2-methylpiperidin-1-yl)butanoate
CID 43537243
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate (CID 39664343) is methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1.
What is the InChIKey of methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate?
The InChIKey is NXCHVFFVTCLFRT-UONOGXRCSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13-6-4-5-11-19(13)14(2)12-18-24(21,22)16-9-7-15(8-10-16)17(20)23-3/h7-10,13-14,18H,4-6,11-12H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate?
methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate has a molecular weight of 354.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate is sourced from PubChem (CID 39664343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).