methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate

C14H20N2O5S — CID 10782506

IUPACmethyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate
SMILESCN[C@H]1C[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C14H20N2O5S/c1-15-10-8-13(14(17)21-3)16(9-10)22(18,19)12-6-4-11(20-2)5-7-12/h4-7,10,13,15H,8-9H2,1-3H3/t10-,13+/m0/s1
InChIKeyOQPYLOIXPZUVKT-GXFFZTMASA-N
MW328.39 g/mol
LogP0.22
Rot. Bonds5

About methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate

methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate (PubChem CID 10782506) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate
PubChem CID10782506
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Namemethyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate
SMILESCN[C@H]1C[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C14H20N2O5S/c1-15-10-8-13(14(17)21-3)16(9-10)22(18,19)12-6-4-11(20-2)5-7-12/h4-7,10,13,15H,8-9H2,1-3H3/t10-,13+/m0/s1
InChIKeyOQPYLOIXPZUVKT-GXFFZTMASA-N
XLogP0.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412
methyl 4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 76663943
methyl (2S)-4-[(4-methoxyphenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 91711176
methyl 1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate
CID 10736622
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
methyl 1-(4-methoxyphenyl)sulfonylpiperazin-4-ium-2-carboxylate chloride
CID 10736621
methyl (2R,4R)-4-methylsulfonyloxy-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 10740862
methyl (2R,4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 7987004
methyl 1-(3-methoxyphenyl)sulfonylaziridine-2-carboxylate
CID 86623479
methyl 1-(4-propan-2-ylphenyl)sulfonylaziridine-2-carboxylate
CID 166643397
methyl 1-[4-(trifluoromethyl)phenyl]sulfonylaziridine-2-carboxylate
CID 166643474
methyl (6S)-5-(4-methoxyphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745526

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate (CID 10782506) is methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate is CN[C@H]1C[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate?
The InChIKey is OQPYLOIXPZUVKT-GXFFZTMASA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-15-10-8-13(14(17)21-3)16(9-10)22(18,19)12-6-4-11(20-2)5-7-12/h4-7,10,13,15H,8-9H2,1-3H3/t10-,13+/m0/s1.
What are the key properties of methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate?
methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate is sourced from PubChem (CID 10782506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).