(3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane

C13H22N2OS2 — CID 159988778

IUPAC(3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane
SMILESCCC[C@@H]1NC[C@H](c2ccccc2)NC1=O.S.S
InChIInChI=1S/C13H18N2O.2H2S/c1-2-6-11-13(16)15-12(9-14-11)10-7-4-3-5-8-10;;/h3-5,7-8,11-12,14H,2,6,9H2,1H3,(H,15,16);2*1H2/t11-,12+;;/m0../s1
InChIKeyOGRDNGCODUHQAG-UVDYRLMLSA-N
MW286.47 g/mol
LogP1.84
Rot. Bonds3

About (3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane

(3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane (PubChem CID 159988778) has the molecular formula C13H22N2OS2 and a molecular weight of 286.47 g/mol. Its IUPAC name is (3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane.

Molecular Properties

Compound Name(3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane
PubChem CID159988778
Molecular FormulaC13H22N2OS2
Molecular Weight286.47 g/mol
Exact Mass286.12
IUPAC Name(3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane
SMILESCCC[C@@H]1NC[C@H](c2ccccc2)NC1=O.S.S
InChIInChI=1S/C13H18N2O.2H2S/c1-2-6-11-13(16)15-12(9-14-11)10-7-4-3-5-8-10;;/h3-5,7-8,11-12,14H,2,6,9H2,1H3,(H,15,16);2*1H2/t11-,12+;;/m0../s1
InChIKeyOGRDNGCODUHQAG-UVDYRLMLSA-N
XLogP1.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane 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

(3S,6S)-6-methyl-3-propylpiperazin-2-one
CID 91195931
1-cyclopropyl-6-phenyl-3-propylpiperazine-2,5-dione
CID 64958512
(3R)-3-methyl-5-phenylpyrrolidin-2-one
CID 155223213
acetic acid;2,5-diphenylpiperazine
CID 157254746
ethane;(2S)-2-phenylaziridine
CID 145185749
5-ethyl-2-phenylpiperidine
CID 164753658
1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine
CID 64875923
(3S,5R)-3-amino-5-phenylpyrrolidin-2-one
CID 99646622
4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 64689178
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
3-cyclopentyl-5-phenyl-2-propylimidazolidin-4-one
CID 83242914
methyl 5-benzyl-6-oxopiperazine-2-carboxylate
CID 13057028

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane?
The IUPAC name of (3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane (CID 159988778) is (3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane.
What is the SMILES notation for (3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane?
The canonical SMILES for (3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane is CCC[C@@H]1NC[C@H](c2ccccc2)NC1=O.S.S.
What is the InChIKey of (3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane?
The InChIKey is OGRDNGCODUHQAG-UVDYRLMLSA-N. The full InChI is InChI=1S/C13H18N2O.2H2S/c1-2-6-11-13(16)15-12(9-14-11)10-7-4-3-5-8-10;;/h3-5,7-8,11-12,14H,2,6,9H2,1H3,(H,15,16);2*1H2/t11-,12+;;/m0../s1.
What are the key properties of (3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane?
(3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane has a molecular weight of 286.47 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane is sourced from PubChem (CID 159988778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).