benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate

C19H20N2O5S — CID 89441344

IUPACbenzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(NS(=O)(=O)c1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H20N2O5S/c22-18(20-27(24,25)16-10-5-2-6-11-16)17-12-7-13-21(17)19(23)26-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,20,22)/t17-/m1/s1
InChIKeyKKFMFWFGKLPVGB-QGZVFWFLSA-N
MW388.44 g/mol
LogP2.29
Rot. Bonds5

About benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate

benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 89441344) has the molecular formula C19H20N2O5S and a molecular weight of 388.44 g/mol. Its IUPAC name is benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID89441344
Molecular FormulaC19H20N2O5S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Namebenzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(NS(=O)(=O)c1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H20N2O5S/c22-18(20-27(24,25)16-10-5-2-6-11-16)17-12-7-13-21(17)19(23)26-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,20,22)/t17-/m1/s1
InChIKeyKKFMFWFGKLPVGB-QGZVFWFLSA-N
XLogP2.29
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S)-2-(aminomethylcarbamoyl)pyrrolidine-1-carboxylate
CID 90822117
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
benzyl 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 84577175
(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide
CID 97249158
benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate
CID 84576697
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
benzyl 2-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 4092929
benzyl 2-[(4-iodophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 46502069
1-O-benzyl 2-O-(2-phenylethyl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 139386187
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283
benzyl (2R)-2-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 92842574

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate (CID 89441344) is benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate is O=C(NS(=O)(=O)c1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is KKFMFWFGKLPVGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-18(20-27(24,25)16-10-5-2-6-11-16)17-12-7-13-21(17)19(23)26-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,20,22)/t17-/m1/s1.
What are the key properties of benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate?
benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 388.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 89441344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).