(2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide

C16H20FN3O2S — CID 95769870

IUPAC(2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide
SMILESO=C([C@H]1CCCN1C(=O)Nc1ccccc1F)N1CCSCC1
InChIInChI=1S/C16H20FN3O2S/c17-12-4-1-2-5-13(12)18-16(22)20-7-3-6-14(20)15(21)19-8-10-23-11-9-19/h1-2,4-5,14H,3,6-11H2,(H,18,22)/t14-/m1/s1
InChIKeyBQKWJCGOBSAMHA-CQSZACIVSA-N
MW337.42 g/mol
LogP2.40
Rot. Bonds2

About (2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide

(2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide (PubChem CID 95769870) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide
PubChem CID95769870
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name(2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide
SMILESO=C([C@H]1CCCN1C(=O)Nc1ccccc1F)N1CCSCC1
InChIInChI=1S/C16H20FN3O2S/c17-12-4-1-2-5-13(12)18-16(22)20-7-3-6-14(20)15(21)19-8-10-23-11-9-19/h1-2,4-5,14H,3,6-11H2,(H,18,22)/t14-/m1/s1
InChIKeyBQKWJCGOBSAMHA-CQSZACIVSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82901283
(2R)-1-N-(2-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1443009
2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3230233
(2R)-2-(4-methylpiperazine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 95784316
(2R)-N-(2-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 40611905
(2R)-1-[(3-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922581
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
(2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 95786679
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
N-(3,4-difluorophenyl)-5-[(2R)-1-[(2-fluorophenyl)carbamoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070999

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide (CID 95769870) is (2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide is O=C([C@H]1CCCN1C(=O)Nc1ccccc1F)N1CCSCC1.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide?
The InChIKey is BQKWJCGOBSAMHA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c17-12-4-1-2-5-13(12)18-16(22)20-7-3-6-14(20)15(21)19-8-10-23-11-9-19/h1-2,4-5,14H,3,6-11H2,(H,18,22)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide?
(2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95769870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).