methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate

C10H13NO2S — CID 164634089

IUPACmethyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](c2ccsc2)C1
InChIInChI=1S/C10H13NO2S/c1-13-10(12)11-4-2-8(6-11)9-3-5-14-7-9/h3,5,7-8H,2,4,6H2,1H3/t8-/m0/s1
InChIKeyBRRMGUVOPGFSOR-QMMMGPOBSA-N
MW211.29 g/mol
LogP2.30
Rot. Bonds1

About methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate

methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate (PubChem CID 164634089) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate
PubChem CID164634089
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](c2ccsc2)C1
InChIInChI=1S/C10H13NO2S/c1-13-10(12)11-4-2-8(6-11)9-3-5-14-7-9/h3,5,7-8H,2,4,6H2,1H3/t8-/m0/s1
InChIKeyBRRMGUVOPGFSOR-QMMMGPOBSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-(thiophen-3-yl)piperidine-1-carboxylate
CID 53426264
tert-butyl (2S)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 11064948
tert-butyl (2R)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 53469666
tert-butyl (2R)-4-methylidene-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 131228499
3-[(2R)-2-thiophen-3-ylpropanoyl]-1,3-oxazolidin-2-one
CID 135041067
Tert-butyl 3-[(fluorosulfonyl)methyl]-4-(thiophen-3-yl)pyrrolidine-1-carboxylate
CID 165518778
Trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-thiophen-3-ylpyrrolidin-3-yl]boranuide
CID 168029859
4-(Thiophen-3-ylmethyl)piperidine-1-carboxylic acid
CID 21100687
(1S,4R)-2-methyl-1-[2-(sulfanylmethyl)butanoyl]-4-thiophen-3-ylpyrrolidin-1-ium-1-carboxylic acid
CID 57082097
(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid
CID 57207040
(2R,4S)-2-methyl-4-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylic acid
CID 57318618
Tert-butyl 4-(thiophen-3-ylmethyl)piperidine-1-carboxylate
CID 58863509

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate?
The IUPAC name of methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate (CID 164634089) is methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate is COC(=O)N1CC[C@H](c2ccsc2)C1.
What is the InChIKey of methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate?
The InChIKey is BRRMGUVOPGFSOR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-10(12)11-4-2-8(6-11)9-3-5-14-7-9/h3,5,7-8H,2,4,6H2,1H3/t8-/m0/s1.
What are the key properties of methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate?
methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 164634089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).