1-thiophen-2-ylsulfonylpiperazin-4-ium

C8H13N2O2S2+ — CID 7016013

IUPAC1-thiophen-2-ylsulfonylpiperazin-4-ium
SMILESO=S(=O)(c1cccs1)N1CC[NH2+]CC1
InChIInChI=1S/C8H12N2O2S2/c11-14(12,8-2-1-7-13-8)10-5-3-9-4-6-10/h1-2,7,9H,3-6H2/p+1
InChIKeyJEVLAMZYGHEJIS-UHFFFAOYSA-O
MW233.34 g/mol
LogP-0.68
Rot. Bonds2

About 1-thiophen-2-ylsulfonylpiperazin-4-ium

1-thiophen-2-ylsulfonylpiperazin-4-ium (PubChem CID 7016013) has the molecular formula C8H13N2O2S2+ and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonylpiperazin-4-ium.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonylpiperazin-4-ium
PubChem CID7016013
Molecular FormulaC8H13N2O2S2+
Molecular Weight233.34 g/mol
Exact Mass233.04
IUPAC Name1-thiophen-2-ylsulfonylpiperazin-4-ium
SMILESO=S(=O)(c1cccs1)N1CC[NH2+]CC1
InChIInChI=1S/C8H12N2O2S2/c11-14(12,8-2-1-7-13-8)10-5-3-9-4-6-10/h1-2,7,9H,3-6H2/p+1
InChIKeyJEVLAMZYGHEJIS-UHFFFAOYSA-O
XLogP-0.68
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonylpiperazin-4-ium?
The IUPAC name of 1-thiophen-2-ylsulfonylpiperazin-4-ium (CID 7016013) is 1-thiophen-2-ylsulfonylpiperazin-4-ium.
What is the SMILES notation for 1-thiophen-2-ylsulfonylpiperazin-4-ium?
The canonical SMILES for 1-thiophen-2-ylsulfonylpiperazin-4-ium is O=S(=O)(c1cccs1)N1CC[NH2+]CC1.
What is the InChIKey of 1-thiophen-2-ylsulfonylpiperazin-4-ium?
The InChIKey is JEVLAMZYGHEJIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12N2O2S2/c11-14(12,8-2-1-7-13-8)10-5-3-9-4-6-10/h1-2,7,9H,3-6H2/p+1.
What are the key properties of 1-thiophen-2-ylsulfonylpiperazin-4-ium?
1-thiophen-2-ylsulfonylpiperazin-4-ium has a molecular weight of 233.34 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonylpiperazin-4-ium is sourced from PubChem (CID 7016013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).