1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine

C8H14N2O2S2 — CID 89243083

IUPAC1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine
SMILESO=S(=O)(C1CC=CS1)N1CCNCC1
InChIInChI=1S/C8H14N2O2S2/c11-14(12,8-2-1-7-13-8)10-5-3-9-4-6-10/h1,7-9H,2-6H2
InChIKeyBTAKNEPDVVDKBT-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.20
Rot. Bonds2

About 1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine

1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine (PubChem CID 89243083) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine
PubChem CID89243083
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC Name1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine
SMILESO=S(=O)(C1CC=CS1)N1CCNCC1
InChIInChI=1S/C8H14N2O2S2/c11-14(12,8-2-1-7-13-8)10-5-3-9-4-6-10/h1,7-9H,2-6H2
InChIKeyBTAKNEPDVVDKBT-UHFFFAOYSA-N
XLogP0.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine?
The IUPAC name of 1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine (CID 89243083) is 1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine?
The canonical SMILES for 1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine is O=S(=O)(C1CC=CS1)N1CCNCC1.
What is the InChIKey of 1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine?
The InChIKey is BTAKNEPDVVDKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c11-14(12,8-2-1-7-13-8)10-5-3-9-4-6-10/h1,7-9H,2-6H2.
What are the key properties of 1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine?
1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine has a molecular weight of 234.35 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-2-ylsulfonyl)piperazine is sourced from PubChem (CID 89243083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).