methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride

C10H15ClN2O4S2 — CID 119961681

IUPACmethyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCNCC2)cs1.Cl
InChIInChI=1S/C10H14N2O4S2.ClH/c1-16-10(13)9-6-8(7-17-9)18(14,15)12-4-2-11-3-5-12;/h6-7,11H,2-5H2,1H3;1H
InChIKeyKAXBHYNNCCMMNL-UHFFFAOYSA-N
MW326.83 g/mol
LogP0.55
Rot. Bonds3

About methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride

methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride (PubChem CID 119961681) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
PubChem CID119961681
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Namemethyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCNCC2)cs1.Cl
InChIInChI=1S/C10H14N2O4S2.ClH/c1-16-10(13)9-6-8(7-17-9)18(14,15)12-4-2-11-3-5-12;/h6-7,11H,2-5H2,1H3;1H
InChIKeyKAXBHYNNCCMMNL-UHFFFAOYSA-N
XLogP0.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride (CID 119961681) is methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride is COC(=O)c1cc(S(=O)(=O)N2CCNCC2)cs1.Cl.
What is the InChIKey of methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride?
The InChIKey is KAXBHYNNCCMMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2.ClH/c1-16-10(13)9-6-8(7-17-9)18(14,15)12-4-2-11-3-5-12;/h6-7,11H,2-5H2,1H3;1H.
What are the key properties of methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride?
methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 119961681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).