1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride

C8H15ClN4O2S — CID 69044723

IUPAC1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride
SMILESCc1ncc(S(=O)(=O)N2CCNCC2)[nH]1.Cl
InChIInChI=1S/C8H14N4O2S.ClH/c1-7-10-6-8(11-7)15(13,14)12-4-2-9-3-5-12;/h6,9H,2-5H2,1H3,(H,10,11);1H
InChIKeyRBZMQUNRVHNPKV-UHFFFAOYSA-N
MW266.75 g/mol
LogP-0.27
Rot. Bonds2

About 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride

1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride (PubChem CID 69044723) has the molecular formula C8H15ClN4O2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride
PubChem CID69044723
Molecular FormulaC8H15ClN4O2S
Molecular Weight266.75 g/mol
Exact Mass266.06
IUPAC Name1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride
SMILESCc1ncc(S(=O)(=O)N2CCNCC2)[nH]1.Cl
InChIInChI=1S/C8H14N4O2S.ClH/c1-7-10-6-8(11-7)15(13,14)12-4-2-9-3-5-12;/h6,9H,2-5H2,1H3,(H,10,11);1H
InChIKeyRBZMQUNRVHNPKV-UHFFFAOYSA-N
XLogP-0.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride?
The IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride (CID 69044723) is 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride is Cc1ncc(S(=O)(=O)N2CCNCC2)[nH]1.Cl.
What is the InChIKey of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride?
The InChIKey is RBZMQUNRVHNPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S.ClH/c1-7-10-6-8(11-7)15(13,14)12-4-2-9-3-5-12;/h6,9H,2-5H2,1H3,(H,10,11);1H.
What are the key properties of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride?
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride has a molecular weight of 266.75 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride is sourced from PubChem (CID 69044723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).