2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide

C9H15N5O2S2 — CID 102691203

IUPAC2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide
SMILESNC(=S)CN1CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C9H15N5O2S2/c10-8(17)7-13-3-5-14(6-4-13)18(15,16)9-1-2-11-12-9/h1-2H,3-7H2,(H2,10,17)(H,11,12)
InChIKeyAMPKFLVBZNRORF-UHFFFAOYSA-N
MW289.39 g/mol
LogP-1.00
Rot. Bonds4

About 2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide

2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide (PubChem CID 102691203) has the molecular formula C9H15N5O2S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide
PubChem CID102691203
Molecular FormulaC9H15N5O2S2
Molecular Weight289.39 g/mol
Exact Mass289.07
IUPAC Name2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide
SMILESNC(=S)CN1CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C9H15N5O2S2/c10-8(17)7-13-3-5-14(6-4-13)18(15,16)9-1-2-11-12-9/h1-2H,3-7H2,(H2,10,17)(H,11,12)
InChIKeyAMPKFLVBZNRORF-UHFFFAOYSA-N
XLogP-1.00
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide 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-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide
CID 102692272
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanethioamide
CID 63336604
1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 102692027
1-(4-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691515
1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide
CID 102691211
4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile
CID 107160788
3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine
CID 102694117
1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691816
2-[4-(2-pyridin-2-ylethylsulfonyl)piperazin-1-yl]ethanethioamide
CID 63336516
3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
CID 102691194
N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
CID 102692300
ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate
CID 102693712

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide?
The IUPAC name of 2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide (CID 102691203) is 2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide.
What is the SMILES notation for 2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide?
The canonical SMILES for 2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide is NC(=S)CN1CCN(S(=O)(=O)c2ccn[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide?
The InChIKey is AMPKFLVBZNRORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S2/c10-8(17)7-13-3-5-14(6-4-13)18(15,16)9-1-2-11-12-9/h1-2H,3-7H2,(H2,10,17)(H,11,12).
What are the key properties of 2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide?
2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide has a molecular weight of 289.39 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide is sourced from PubChem (CID 102691203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).