1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine

C11H16Cl2N2O2S2 — CID 175794626

IUPAC1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)s2)CC1
InChIInChI=1S/C11H16Cl2N2O2S2/c1-2-3-14-4-6-15(7-5-14)19(16,17)10-8-9(12)11(13)18-10/h8H,2-7H2,1H3
InChIKeyVSBRTVQUBANTCY-UHFFFAOYSA-N
MW343.30 g/mol
LogP2.77
Rot. Bonds4

About 1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine

1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine (PubChem CID 175794626) has the molecular formula C11H16Cl2N2O2S2 and a molecular weight of 343.30 g/mol. Its IUPAC name is 1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine
PubChem CID175794626
Molecular FormulaC11H16Cl2N2O2S2
Molecular Weight343.30 g/mol
Exact Mass342.00
IUPAC Name1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)s2)CC1
InChIInChI=1S/C11H16Cl2N2O2S2/c1-2-3-14-4-6-15(7-5-14)19(16,17)10-8-9(12)11(13)18-10/h8H,2-7H2,1H3
InChIKeyVSBRTVQUBANTCY-UHFFFAOYSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine?
The IUPAC name of 1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine (CID 175794626) is 1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine.
What is the SMILES notation for 1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine?
The canonical SMILES for 1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine is CCCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)s2)CC1.
What is the InChIKey of 1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine?
The InChIKey is VSBRTVQUBANTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S2/c1-2-3-14-4-6-15(7-5-14)19(16,17)10-8-9(12)11(13)18-10/h8H,2-7H2,1H3.
What are the key properties of 1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine?
1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine has a molecular weight of 343.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-propylpiperazine is sourced from PubChem (CID 175794626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).