2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone

C11H17N3O3S2 — CID 115286554

IUPAC2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone
SMILESCS(=O)(=O)N1CCN(C(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C11H17N3O3S2/c1-19(16,17)14-6-4-13(5-7-14)11(15)10(12)9-3-2-8-18-9/h2-3,8,10H,4-7,12H2,1H3
InChIKeyZPYGGXGWYCQIAK-UHFFFAOYSA-N
MW303.41 g/mol
LogP-0.15
Rot. Bonds3

About 2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone

2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 115286554) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone
PubChem CID115286554
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone
SMILESCS(=O)(=O)N1CCN(C(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C11H17N3O3S2/c1-19(16,17)14-6-4-13(5-7-14)11(15)10(12)9-3-2-8-18-9/h2-3,8,10H,4-7,12H2,1H3
InChIKeyZPYGGXGWYCQIAK-UHFFFAOYSA-N
XLogP-0.15
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone with MolForge

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Related Compounds

ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 115286815
1-[4-(2-amino-2-thiophen-2-ylacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 115286671
2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115285943
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 113279080
2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287841
2-amino-1-(1,4-thiazepan-4-yl)-2-thiophen-2-ylethanone
CID 115287048
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 113279250
1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide
CID 115286098
2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone
CID 115287351
(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
CID 78984747
2-amino-2-(4-methylphenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone;hydrochloride
CID 120666957
1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 136511986

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone (CID 115286554) is 2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone is CS(=O)(=O)N1CCN(C(=O)C(N)c2cccs2)CC1.
What is the InChIKey of 2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is ZPYGGXGWYCQIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-19(16,17)14-6-4-13(5-7-14)11(15)10(12)9-3-2-8-18-9/h2-3,8,10H,4-7,12H2,1H3.
What are the key properties of 2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone?
2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 303.41 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 115286554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).