(2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride

C9H17ClN4O2S — CID 120717155

IUPAC(2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
SMILESC[C@H]1CNCCN1S(=O)(=O)c1cn(C)cn1.Cl
InChIInChI=1S/C9H16N4O2S.ClH/c1-8-5-10-3-4-13(8)16(14,15)9-6-12(2)7-11-9;/h6-8,10H,3-5H2,1-2H3;1H/t8-;/m0./s1
InChIKeyKPRBKBNFXSRVGZ-QRPNPIFTSA-N
MW280.78 g/mol
LogP-0.18
Rot. Bonds2

About (2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride

(2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride (PubChem CID 120717155) has the molecular formula C9H17ClN4O2S and a molecular weight of 280.78 g/mol. Its IUPAC name is (2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
PubChem CID120717155
Molecular FormulaC9H17ClN4O2S
Molecular Weight280.78 g/mol
Exact Mass280.08
IUPAC Name(2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
SMILESC[C@H]1CNCCN1S(=O)(=O)c1cn(C)cn1.Cl
InChIInChI=1S/C9H16N4O2S.ClH/c1-8-5-10-3-4-13(8)16(14,15)9-6-12(2)7-11-9;/h6-8,10H,3-5H2,1-2H3;1H/t8-;/m0./s1
InChIKeyKPRBKBNFXSRVGZ-QRPNPIFTSA-N
XLogP-0.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
The IUPAC name of (2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride (CID 120717155) is (2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for (2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for (2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride is C[C@H]1CNCCN1S(=O)(=O)c1cn(C)cn1.Cl.
What is the InChIKey of (2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
The InChIKey is KPRBKBNFXSRVGZ-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H16N4O2S.ClH/c1-8-5-10-3-4-13(8)16(14,15)9-6-12(2)7-11-9;/h6-8,10H,3-5H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
(2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride has a molecular weight of 280.78 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120717155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).