methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate

C16H17NO4S — CID 650864

IUPACmethyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO4S/c1-21-16(18)15-7-4-10-17(15)22(19,20)14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3
InChIKeyDPFCYDDFRCUWGW-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.17
Rot. Bonds3

About methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate

methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate (PubChem CID 650864) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
PubChem CID650864
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Namemethyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO4S/c1-21-16(18)15-7-4-10-17(15)22(19,20)14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3
InChIKeyDPFCYDDFRCUWGW-UHFFFAOYSA-N
XLogP2.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Toluene-4-sulfonyl)-4-(toluene-4-sulfonyloxy)-pyrrolidine-2-carboxylic acid methyl ester
CID 391527
Ethyl 1-naphthalen-2-ylsulfonylpiperidine-3-carboxylate
CID 3785564
4-Benzenesulfonyloxy-1-(toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid methyl ester
CID 44569012
1-Benzenesulfonyl-4-(toluene-4-sulfonyloxy)-pyrrolidine-2-carboxylic acid methyl ester
CID 44569038
4-Hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid
CID 3677107
Methyl 4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 4963841
1-(2-Naphthylsulfonyl)proline
CID 649141
1-(2-Naphthylsulfonyl)piperidine-2-carboxylic acid
CID 2769968
Methyl 5-(diaminomethylideneamino)-2-(naphthalen-2-ylsulfonylamino)pentanoate
CID 22760751
Methyl 1-[(4-ethylphenyl)sulfonyl]prolinate
CID 617150
Methyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 614168
N-Tosyl-l-proline methyl ester
CID 6542883

Frequently Asked Questions

What is the IUPAC name of methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate (CID 650864) is methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate is COC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate?
The InChIKey is DPFCYDDFRCUWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-21-16(18)15-7-4-10-17(15)22(19,20)14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3.
What are the key properties of methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate?
methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate has a molecular weight of 319.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 650864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).