N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

C12H19N3O3S2 — CID 9111668

IUPACN,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCN(C)C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H19N3O3S2/c1-13(2)11(16)10-14-5-7-15(8-6-14)20(17,18)12-4-3-9-19-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyFXPSERVNWGUKMZ-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.14
Rot. Bonds4

About N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 9111668) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID9111668
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCN(C)C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H19N3O3S2/c1-13(2)11(16)10-14-5-7-15(8-6-14)20(17,18)12-4-3-9-19-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyFXPSERVNWGUKMZ-UHFFFAOYSA-N
XLogP0.14
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 110366560
1-(1H-pyrrol-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 17445671
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680241
N-(tert-butylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655830
1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 110366490
N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680339
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 11938399
N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745789
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 3514819
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745531
methyl (2R,3S)-3-methyl-2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]pentanoate
CID 8687063
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655772

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 9111668) is N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is CN(C)C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is FXPSERVNWGUKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-13(2)11(16)10-14-5-7-15(8-6-14)20(17,18)12-4-3-9-19-12/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 317.44 g/mol, XLogP of 0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 9111668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).