1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one

C10H20N2OS — CID 62544723

IUPAC1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one
SMILESCC(C)SCCC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2OS/c1-9(2)14-8-3-10(13)12-6-4-11-5-7-12/h9,11H,3-8H2,1-2H3
InChIKeyWJXRTFSZRMRGHI-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.95
Rot. Bonds4

About 1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one

1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one (PubChem CID 62544723) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one
PubChem CID62544723
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one
SMILESCC(C)SCCC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2OS/c1-9(2)14-8-3-10(13)12-6-4-11-5-7-12/h9,11H,3-8H2,1-2H3
InChIKeyWJXRTFSZRMRGHI-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one 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

3-(3-hydroxy-2-methylpropyl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 66102738
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone
CID 66244111
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
1-piperazin-1-ylpentadecan-1-one
CID 126705881
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone
CID 66226245
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
3-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39282675
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one?
The IUPAC name of 1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one (CID 62544723) is 1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one?
The canonical SMILES for 1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one is CC(C)SCCC(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one?
The InChIKey is WJXRTFSZRMRGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-9(2)14-8-3-10(13)12-6-4-11-5-7-12/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one?
1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one has a molecular weight of 216.35 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one is sourced from PubChem (CID 62544723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).