1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone

C18H24N2O3S — CID 95318677

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone
SMILESCc1ccccc1C[S@](=O)CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H24N2O3S/c1-14-4-2-3-5-16(14)12-24(23)13-17(21)19-8-10-20(11-9-19)18(22)15-6-7-15/h2-5,15H,6-13H2,1H3/t24-/m0/s1
InChIKeyLEOJGCLKHQDLJM-DEOSSOPVSA-N
MW348.47 g/mol
LogP1.32
Rot. Bonds5

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone (PubChem CID 95318677) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone
PubChem CID95318677
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone
SMILESCc1ccccc1C[S@](=O)CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H24N2O3S/c1-14-4-2-3-5-16(14)12-24(23)13-17(21)19-8-10-20(11-9-19)18(22)15-6-7-15/h2-5,15H,6-13H2,1H3/t24-/m0/s1
InChIKeyLEOJGCLKHQDLJM-DEOSSOPVSA-N
XLogP1.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone 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-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 110797863
2-(2-methylphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119763352
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
2-[(2-methylphenyl)methylsulfinyl]-1-(oxolan-3-yl)ethanone
CID 104756209
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110364805
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
1-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 51942632
1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 45019892
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
CID 110822175

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone (CID 95318677) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone is Cc1ccccc1C[S@](=O)CC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone?
The InChIKey is LEOJGCLKHQDLJM-DEOSSOPVSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14-4-2-3-5-16(14)12-24(23)13-17(21)19-8-10-20(11-9-19)18(22)15-6-7-15/h2-5,15H,6-13H2,1H3/t24-/m0/s1.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone has a molecular weight of 348.47 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone is sourced from PubChem (CID 95318677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).