1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one

C16H23N3OS — CID 95771278

IUPAC1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1[C@@H]1CCCN(CCSc2ccccc2)C1
InChIInChI=1S/C16H23N3OS/c20-16-17-8-10-19(16)14-5-4-9-18(13-14)11-12-21-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,17,20)/t14-/m1/s1
InChIKeyFPHIDFLQDLLVMM-CQSZACIVSA-N
MW305.45 g/mol
LogP2.27
Rot. Bonds5

About 1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one

1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 95771278) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one
PubChem CID95771278
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1[C@@H]1CCCN(CCSc2ccccc2)C1
InChIInChI=1S/C16H23N3OS/c20-16-17-8-10-19(16)14-5-4-9-18(13-14)11-12-21-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,17,20)/t14-/m1/s1
InChIKeyFPHIDFLQDLLVMM-CQSZACIVSA-N
XLogP2.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
3-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]propanoic acid
CID 102549085
[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119915525
3-ethyl-1-(2-phenylsulfanylethyl)piperidine
CID 78993201
3-methyl-1-(2-phenylsulfanylethyl)-1,4-diazepane
CID 79223382
1-[(3R)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95590514
1-[(3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95151332
1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 94792411
1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine
CID 79315398
1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one
CID 95585798
1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925370
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one (CID 95771278) is 1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one is O=C1NCCN1[C@@H]1CCCN(CCSc2ccccc2)C1.
What is the InChIKey of 1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is FPHIDFLQDLLVMM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3OS/c20-16-17-8-10-19(16)14-5-4-9-18(13-14)11-12-21-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,17,20)/t14-/m1/s1.
What are the key properties of 1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one?
1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 305.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 95771278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).