N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide

C12H20N3O3S2+ — CID 8686905

IUPACN-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide
SMILESCC(=O)NCC[NH+]1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H19N3O3S2/c1-11(16)13-4-5-14-6-8-15(9-7-14)20(17,18)12-3-2-10-19-12/h2-3,10H,4-9H2,1H3,(H,13,16)/p+1
InChIKeyFZGIOTLMGVNIRN-UHFFFAOYSA-O
MW318.44 g/mol
LogP-1.23
Rot. Bonds5

About N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide

N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide (PubChem CID 8686905) has the molecular formula C12H20N3O3S2+ and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide
PubChem CID8686905
Molecular FormulaC12H20N3O3S2+
Molecular Weight318.44 g/mol
Exact Mass318.09
IUPAC NameN-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide
SMILESCC(=O)NCC[NH+]1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H19N3O3S2/c1-11(16)13-4-5-14-6-8-15(9-7-14)20(17,18)12-3-2-10-19-12/h2-3,10H,4-9H2,1H3,(H,13,16)/p+1
InChIKeyFZGIOTLMGVNIRN-UHFFFAOYSA-O
XLogP-1.23
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide
CID 8685028
N-(3,4-dimethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655749
N-benzhydryl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655781
N-(3-chloro-4-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745682
N-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 3497946
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
N-(5-chloro-2-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2162492
N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745661
(2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol
CID 9449991
1-[2-(2-fluorophenyl)sulfanylethyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
CID 8553395
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 11938400

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide (CID 8686905) is N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide is CC(=O)NCC[NH+]1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide?
The InChIKey is FZGIOTLMGVNIRN-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19N3O3S2/c1-11(16)13-4-5-14-6-8-15(9-7-14)20(17,18)12-3-2-10-19-12/h2-3,10H,4-9H2,1H3,(H,13,16)/p+1.
What are the key properties of N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide?
N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide has a molecular weight of 318.44 g/mol, XLogP of -1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide is sourced from PubChem (CID 8686905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).