piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone

C15H23N3OS — CID 158455886

IUPACpiperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone
SMILESC1CNCCN1.O=C(c1ccccc1S)N1CCCC1
InChIInChI=1S/C11H13NOS.C4H10N2/c13-11(12-7-3-4-8-12)9-5-1-2-6-10(9)14;1-2-6-4-3-5-1/h1-2,5-6,14H,3-4,7-8H2;5-6H,1-4H2
InChIKeyHEOGPMUGAOOKQA-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.39
Rot. Bonds1

About piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone

piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone (PubChem CID 158455886) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone.

Molecular Properties

Compound Namepiperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone
PubChem CID158455886
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Namepiperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone
SMILESC1CNCCN1.O=C(c1ccccc1S)N1CCCC1
InChIInChI=1S/C11H13NOS.C4H10N2/c13-11(12-7-3-4-8-12)9-5-1-2-6-10(9)14;1-2-6-4-3-5-1/h1-2,5-6,14H,3-4,7-8H2;5-6H,1-4H2
InChIKeyHEOGPMUGAOOKQA-UHFFFAOYSA-N
XLogP1.39
TPSA44.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
2,2-diphenyl-1-[4-(2-sulfanylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108544395
2-chloro-1-[4-(2-sulfanylbenzoyl)piperazin-1-yl]ethanone
CID 108569413
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(2-sulfanylphenyl)methanone
CID 108547390
N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide
CID 108569403
2-methoxy-1-[4-(2-sulfanylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108547455
(4-chlorophenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108534125
(2-bromophenyl)-(1,4-diazepan-1-yl)methanone
CID 16771837
3,6-dihydro-2H-pyridin-1-yl-(2-sulfanylphenyl)methanone
CID 107036222
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
2-ethyl-1-[4-(2-sulfanylbenzoyl)piperazin-1-yl]butan-1-one
CID 108536569
2-(piperazine-1-carbonyl)benzoyl chloride
CID 82511837

Frequently Asked Questions

What is the IUPAC name of piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone?
The IUPAC name of piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone (CID 158455886) is piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone.
What is the SMILES notation for piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone?
The canonical SMILES for piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone is C1CNCCN1.O=C(c1ccccc1S)N1CCCC1.
What is the InChIKey of piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone?
The InChIKey is HEOGPMUGAOOKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS.C4H10N2/c13-11(12-7-3-4-8-12)9-5-1-2-6-10(9)14;1-2-6-4-3-5-1/h1-2,5-6,14H,3-4,7-8H2;5-6H,1-4H2.
What are the key properties of piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone?
piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone has a molecular weight of 293.44 g/mol, XLogP of 1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone is sourced from PubChem (CID 158455886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).