3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide

C15H21N3OS — CID 115648787

IUPAC3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide
SMILESS=C(Nc1ccccc1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H21N3OS/c20-15(16-13-4-2-1-3-5-13)18-7-6-14(12-18)17-8-10-19-11-9-17/h1-5,14H,6-12H2,(H,16,20)
InChIKeySDPICBKLWHJCLO-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.79
Rot. Bonds2

About 3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide

3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide (PubChem CID 115648787) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide
PubChem CID115648787
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide
SMILESS=C(Nc1ccccc1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H21N3OS/c20-15(16-13-4-2-1-3-5-13)18-7-6-14(12-18)17-8-10-19-11-9-17/h1-5,14H,6-12H2,(H,16,20)
InChIKeySDPICBKLWHJCLO-UHFFFAOYSA-N
XLogP1.79
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-phenylmorpholine-4-carbothioamide
CID 139054920
9-methyl-N-phenyl-3,9-diazabicyclo[4.2.1]nonane-3-carbothioamide
CID 115667354
2-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111727410
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide
CID 111726933
N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
CID 59764610
(3S)-3-methyl-N-phenylpiperidine-1-carbothioamide
CID 785499
N-phenyl-4-(thian-4-yl)piperazine-1-carbothioamide
CID 100568635
2-ethyl-N-phenylmorpholine-4-carbothioamide
CID 116507471
2-cyano-N-phenylmorpholine-4-carbothioamide
CID 115616233
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide
CID 4085607
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide?
The IUPAC name of 3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide (CID 115648787) is 3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide.
What is the SMILES notation for 3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide?
The canonical SMILES for 3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide is S=C(Nc1ccccc1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide?
The InChIKey is SDPICBKLWHJCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c20-15(16-13-4-2-1-3-5-13)18-7-6-14(12-18)17-8-10-19-11-9-17/h1-5,14H,6-12H2,(H,16,20).
What are the key properties of 3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide?
3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide has a molecular weight of 291.42 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide is sourced from PubChem (CID 115648787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).