cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone

C19H24N2O4S2 — CID 26005518

IUPACcyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1S[C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H24N2O4S2/c22-18(14-5-6-14)20-8-10-21(11-9-20)19(23)16-3-1-2-4-17(16)26-15-7-12-27(24,25)13-15/h1-4,14-15H,5-13H2/t15-/m0/s1
InChIKeyKVNYAZSDHOUPSU-HNNXBMFYSA-N
MW408.55 g/mol
LogP1.66
Rot. Bonds4

About cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone

cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone (PubChem CID 26005518) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone
PubChem CID26005518
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Namecyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1S[C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H24N2O4S2/c22-18(14-5-6-14)20-8-10-21(11-9-20)19(23)16-3-1-2-4-17(16)26-15-7-12-27(24,25)13-15/h1-4,14-15H,5-13H2/t15-/m0/s1
InChIKeyKVNYAZSDHOUPSU-HNNXBMFYSA-N
XLogP1.66
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone 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

[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylphenyl]methanone
CID 124834697
(4-benzylsulfonylpiperazin-1-yl)-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylphenyl]methanone
CID 41079004
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylphenyl]methanone
CID 41075096
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 45479079
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-prop-2-ynylbenzamide
CID 39967836
N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
CID 40939084
cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
CID 46564727
benzyl 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoate
CID 8665350
N-(4-tert-butylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
CID 9044149
[(1S)-1-phenylethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzoate
CID 51923884
cyanomethyl 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzoate
CID 8665331
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzoate
CID 8665617

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone (CID 26005518) is cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone is O=C(c1ccccc1S[C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone?
The InChIKey is KVNYAZSDHOUPSU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c22-18(14-5-6-14)20-8-10-21(11-9-20)19(23)16-3-1-2-4-17(16)26-15-7-12-27(24,25)13-15/h1-4,14-15H,5-13H2/t15-/m0/s1.
What are the key properties of cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone has a molecular weight of 408.55 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 26005518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).