6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one

C8H16N2OS — CID 91163079

IUPAC6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one
SMILESCC(C)C1CN(CS)CC(=O)N1
InChIInChI=1S/C8H16N2OS/c1-6(2)7-3-10(5-12)4-8(11)9-7/h6-7,12H,3-5H2,1-2H3,(H,9,11)
InChIKeyXJKYLRHZVLOAFM-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.33
Rot. Bonds2

About 6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one

6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one (PubChem CID 91163079) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one.

Molecular Properties

Compound Name6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one
PubChem CID91163079
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one
SMILESCC(C)C1CN(CS)CC(=O)N1
InChIInChI=1S/C8H16N2OS/c1-6(2)7-3-10(5-12)4-8(11)9-7/h6-7,12H,3-5H2,1-2H3,(H,9,11)
InChIKeyXJKYLRHZVLOAFM-UHFFFAOYSA-N
XLogP0.33
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-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

1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one
CID 116978304
(6R)-4-ethyl-6-methylpiperazin-2-one
CID 171516065
4-ethyl-6-methylpiperazin-2-one
CID 89081094
4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one
CID 126790707
1-(2-amino-2-methylpropyl)-4-propan-2-ylimidazolidin-2-one
CID 116978490
3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile
CID 116980234
4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one
CID 128702306
6-methyl-4-propylpiperazin-2-one
CID 129133704
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
1-(1-cyclopropylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64971884
1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione
CID 64957214
1-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylimidazolidin-2-one
CID 116978819

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one?
The IUPAC name of 6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one (CID 91163079) is 6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one.
What is the SMILES notation for 6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one?
The canonical SMILES for 6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one is CC(C)C1CN(CS)CC(=O)N1.
What is the InChIKey of 6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one?
The InChIKey is XJKYLRHZVLOAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6(2)7-3-10(5-12)4-8(11)9-7/h6-7,12H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one?
6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one has a molecular weight of 188.30 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one is sourced from PubChem (CID 91163079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).