1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one

C14H20N2OS — CID 7369393

IUPAC1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one
SMILESCN1CCN(C(=O)CCSc2ccccc2)CC1
InChIInChI=1S/C14H20N2OS/c1-15-8-10-16(11-9-15)14(17)7-12-18-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyWQNCOOLXFCSYLW-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.94
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one

1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one (PubChem CID 7369393) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one
PubChem CID7369393
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one
SMILESCN1CCN(C(=O)CCSc2ccccc2)CC1
InChIInChI=1S/C14H20N2OS/c1-15-8-10-16(11-9-15)14(17)7-12-18-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyWQNCOOLXFCSYLW-UHFFFAOYSA-N
XLogP1.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-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

2-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
1-Methyl-4-[(phenylthio)acetyl]-1,4-diazepane
CID 6467918
1-(4-Ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone
CID 977706
4-[3-(Phenylthio)propanoyl]morpholine
CID 875838
3-(Phenylthio)-1-(1-pyrrolidinyl)-1-propanone
CID 3316051
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 18105480
1-(2-Methylpropyl)-4-(2-phenylsulfanylethyl)-1,4-diazepan-5-one
CID 24761228
4-(2-Phenylsulfanylethyl)-1-propyl-1,4-diazepan-5-one
CID 24761287
1-Methyl-4-(2-phenylsulfanylethyl)-1,4-diazepan-5-one
CID 24761289
N-Methyl-N-(2-methyl-1-pyrrolidin-1-ylmethyl-propyl)-2-phenylsulfanyl-acetamide
CID 44337565
N-methyl-2-phenylsulfanyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46877998
2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 674991

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one (CID 7369393) is 1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one is CN1CCN(C(=O)CCSc2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one?
The InChIKey is WQNCOOLXFCSYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-15-8-10-16(11-9-15)14(17)7-12-18-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one?
1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one has a molecular weight of 264.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one is sourced from PubChem (CID 7369393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).