(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

C13H20N2O2S — CID 97311685

IUPAC(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESCOC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C13H20N2O2S/c1-10(8-17-2)14-13(16)15-6-3-4-12(15)11-5-7-18-9-11/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H,14,16)/t10-,12+/m0/s1
InChIKeyJDGNFUQHXYHFBD-CMPLNLGQSA-N
MW268.38 g/mol
LogP2.63
Rot. Bonds4

About (2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 97311685) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID97311685
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESCOC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C13H20N2O2S/c1-10(8-17-2)14-13(16)15-6-3-4-12(15)11-5-7-18-9-11/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H,14,16)/t10-,12+/m0/s1
InChIKeyJDGNFUQHXYHFBD-CMPLNLGQSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94102635
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 100836452
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
2-amino-5-methoxy-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
CID 81083425
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94031902
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94103812
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166
(2R)-2-cyclopentyl-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
CID 96559192

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 97311685) is (2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is COC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of (2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is JDGNFUQHXYHFBD-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(8-17-2)14-13(16)15-6-3-4-12(15)11-5-7-18-9-11/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H,14,16)/t10-,12+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97311685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).