1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride

C10H19ClN4O2S — CID 119969883

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCc1nc(S(=O)(=O)N2CCNCC2C)cn1C.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-8-6-11-4-5-14(8)17(15,16)10-7-13(3)9(2)12-10;/h7-8,11H,4-6H2,1-3H3;1H
InChIKeyYKYCXWOGCIIXAQ-UHFFFAOYSA-N
MW294.81 g/mol
LogP0.13
Rot. Bonds2

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride

1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride (PubChem CID 119969883) has the molecular formula C10H19ClN4O2S and a molecular weight of 294.81 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride
PubChem CID119969883
Molecular FormulaC10H19ClN4O2S
Molecular Weight294.81 g/mol
Exact Mass294.09
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCc1nc(S(=O)(=O)N2CCNCC2C)cn1C.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-8-6-11-4-5-14(8)17(15,16)10-7-13(3)9(2)12-10;/h7-8,11H,4-6H2,1-3H3;1H
InChIKeyYKYCXWOGCIIXAQ-UHFFFAOYSA-N
XLogP0.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride (CID 119969883) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride is Cc1nc(S(=O)(=O)N2CCNCC2C)cn1C.Cl.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride?
The InChIKey is YKYCXWOGCIIXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S.ClH/c1-8-6-11-4-5-14(8)17(15,16)10-7-13(3)9(2)12-10;/h7-8,11H,4-6H2,1-3H3;1H.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride has a molecular weight of 294.81 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 119969883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).