imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C12H14N4O3S2 — CID 9120724

IUPACimidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(S(=O)(=O)c2cccs2)CC1)n1ccnc1
InChIInChI=1S/C12H14N4O3S2/c17-12(15-4-3-13-10-15)14-5-7-16(8-6-14)21(18,19)11-2-1-9-20-11/h1-4,9-10H,5-8H2
InChIKeyWEDRTKMBSSSWEO-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.92
Rot. Bonds2

About imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 9120724) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID9120724
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Nameimidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(S(=O)(=O)c2cccs2)CC1)n1ccnc1
InChIInChI=1S/C12H14N4O3S2/c17-12(15-4-3-13-10-15)14-5-7-16(8-6-14)21(18,19)11-2-1-9-20-11/h1-4,9-10H,5-8H2
InChIKeyWEDRTKMBSSSWEO-UHFFFAOYSA-N
XLogP0.92
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylpyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 19536478
1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid
CID 19506326
1-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxylic acid
CID 19502329
pyrazin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810480
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
2-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxylic acid
CID 19485695
(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19279155
N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
CID 7944078
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
1-thiophen-2-ylsulfonylpiperidine
CID 765823
(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148460

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 9120724) is imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(N1CCN(S(=O)(=O)c2cccs2)CC1)n1ccnc1.
What is the InChIKey of imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is WEDRTKMBSSSWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c17-12(15-4-3-13-10-15)14-5-7-16(8-6-14)21(18,19)11-2-1-9-20-11/h1-4,9-10H,5-8H2.
What are the key properties of imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 9120724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).