N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide

C17H24ClN3OS — CID 122563662

IUPACN-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCCC1)N1CCSCC1
InChIInChI=1S/C17H24ClN3OS/c18-15-5-3-14(4-6-15)16(20-7-1-2-8-20)13-19-17(22)21-9-11-23-12-10-21/h3-6,16H,1-2,7-13H2,(H,19,22)
InChIKeyFOXNOHRYQDONCT-UHFFFAOYSA-N
MW353.92 g/mol
LogP3.24
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide

N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide (PubChem CID 122563662) has the molecular formula C17H24ClN3OS and a molecular weight of 353.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide
PubChem CID122563662
Molecular FormulaC17H24ClN3OS
Molecular Weight353.92 g/mol
Exact Mass353.13
IUPAC NameN-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCCC1)N1CCSCC1
InChIInChI=1S/C17H24ClN3OS/c18-15-5-3-14(4-6-15)16(20-7-1-2-8-20)13-19-17(22)21-9-11-23-12-10-21/h3-6,16H,1-2,7-13H2,(H,19,22)
InChIKeyFOXNOHRYQDONCT-UHFFFAOYSA-N
XLogP3.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide
CID 126432703
2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide
CID 125445207
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 125440898
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
CID 166594815
1-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]ethanone
CID 110825336
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
CID 118768790
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 125174182
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 125167167
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 29133950
1-(4-chlorophenyl)-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]urea
CID 42551596

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide (CID 122563662) is N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide is O=C(NCC(c1ccc(Cl)cc1)N1CCCC1)N1CCSCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide?
The InChIKey is FOXNOHRYQDONCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3OS/c18-15-5-3-14(4-6-15)16(20-7-1-2-8-20)13-19-17(22)21-9-11-23-12-10-21/h3-6,16H,1-2,7-13H2,(H,19,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide?
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide has a molecular weight of 353.92 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 122563662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).