(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

C14H20N2O2S — CID 94124343

IUPAC(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCOC1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C14H20N2O2S/c17-14(15-9-11-5-7-18-10-11)16-6-1-3-12(16)13-4-2-8-19-13/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,15,17)/t11-,12-/m0/s1
InChIKeyZFQWZBKEOMCLIU-RYUDHWBXSA-N
MW280.39 g/mol
LogP2.63
Rot. Bonds3

About (2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 94124343) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID94124343
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCOC1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C14H20N2O2S/c17-14(15-9-11-5-7-18-10-11)16-6-1-3-12(16)13-4-2-8-19-13/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,15,17)/t11-,12-/m0/s1
InChIKeyZFQWZBKEOMCLIU-RYUDHWBXSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(1,3-benzothiazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 94124246
3-[(2-thiophen-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019481
ethyl 4-[[(2-thiophen-2-ylazepane-1-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 22586941
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 94124341
(2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 94124370
(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012952
(2R)-N-benzyl-2-thiophen-2-ylazepane-1-carboxamide
CID 92503180
1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 62823489
N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51084945
N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94124241
(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503190
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51960032

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 94124343) is (2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is O=C(NC[C@@H]1CCOC1)N1CCC[C@H]1c1cccs1.
What is the InChIKey of (2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is ZFQWZBKEOMCLIU-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-14(15-9-11-5-7-18-10-11)16-6-1-3-12(16)13-4-2-8-19-13/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of (2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94124343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).