1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride

C7H13ClN4O2S — CID 71778822

IUPAC1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1cnc[nH]1)N1CCNCC1
InChIInChI=1S/C7H12N4O2S.ClH/c12-14(13,7-5-9-6-10-7)11-3-1-8-2-4-11;/h5-6,8H,1-4H2,(H,9,10);1H
InChIKeyLFHFYQOMTJXFAK-UHFFFAOYSA-N
MW252.73 g/mol
LogP-0.57
Rot. Bonds2

About 1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride

1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride (PubChem CID 71778822) has the molecular formula C7H13ClN4O2S and a molecular weight of 252.73 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride
PubChem CID71778822
Molecular FormulaC7H13ClN4O2S
Molecular Weight252.73 g/mol
Exact Mass252.04
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1cnc[nH]1)N1CCNCC1
InChIInChI=1S/C7H12N4O2S.ClH/c12-14(13,7-5-9-6-10-7)11-3-1-8-2-4-11;/h5-6,8H,1-4H2,(H,9,10);1H
InChIKeyLFHFYQOMTJXFAK-UHFFFAOYSA-N
XLogP-0.57
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride (CID 71778822) is 1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride is Cl.O=S(=O)(c1cnc[nH]1)N1CCNCC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride?
The InChIKey is LFHFYQOMTJXFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S.ClH/c12-14(13,7-5-9-6-10-7)11-3-1-8-2-4-11;/h5-6,8H,1-4H2,(H,9,10);1H.
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride?
1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride has a molecular weight of 252.73 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 71778822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).