1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine

C14H20N4O2S2 — CID 56786009

IUPAC1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3ncc[nH]3)CC2)c(C)s1
InChIInChI=1S/C14H20N4O2S2/c1-11-9-13(12(2)21-11)22(19,20)18-7-5-17(6-8-18)10-14-15-3-4-16-14/h3-4,9H,5-8,10H2,1-2H3,(H,15,16)
InChIKeyLJFCIIGJUSIQFC-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.59
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine

1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine (PubChem CID 56786009) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine
PubChem CID56786009
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3ncc[nH]3)CC2)c(C)s1
InChIInChI=1S/C14H20N4O2S2/c1-11-9-13(12(2)21-11)22(19,20)18-7-5-17(6-8-18)10-14-15-3-4-16-14/h3-4,9H,5-8,10H2,1-2H3,(H,15,16)
InChIKeyLJFCIIGJUSIQFC-UHFFFAOYSA-N
XLogP1.59
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine (CID 56786009) is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine is Cc1cc(S(=O)(=O)N2CCN(Cc3ncc[nH]3)CC2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine?
The InChIKey is LJFCIIGJUSIQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-11-9-13(12(2)21-11)22(19,20)18-7-5-17(6-8-18)10-14-15-3-4-16-14/h3-4,9H,5-8,10H2,1-2H3,(H,15,16).
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine?
1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine has a molecular weight of 340.47 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine is sourced from PubChem (CID 56786009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).