1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine

C12H18Cl2N2O2S2 — CID 78797712

IUPAC1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C12H18Cl2N2O2S2/c1-9(2)8-15-3-5-16(6-4-15)20(17,18)10-7-11(13)19-12(10)14/h7,9H,3-6,8H2,1-2H3
InChIKeyHMPGBORFLMOKOE-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.02
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine

1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine (PubChem CID 78797712) has the molecular formula C12H18Cl2N2O2S2 and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine
PubChem CID78797712
Molecular FormulaC12H18Cl2N2O2S2
Molecular Weight357.33 g/mol
Exact Mass356.02
IUPAC Name1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C12H18Cl2N2O2S2/c1-9(2)8-15-3-5-16(6-4-15)20(17,18)10-7-11(13)19-12(10)14/h7,9H,3-6,8H2,1-2H3
InChIKeyHMPGBORFLMOKOE-UHFFFAOYSA-N
XLogP3.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine (CID 78797712) is 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine?
The InChIKey is HMPGBORFLMOKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S2/c1-9(2)8-15-3-5-16(6-4-15)20(17,18)10-7-11(13)19-12(10)14/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine?
1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine has a molecular weight of 357.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 78797712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).