3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride

C10H19ClN4O2S — CID 119984050

IUPAC3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cn(C)cn2)CCC1N.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-8-5-14(4-3-9(8)11)17(15,16)10-6-13(2)7-12-10;/h6-9H,3-5,11H2,1-2H3;1H
InChIKeyWEVKYTYSYYWNQF-UHFFFAOYSA-N
MW294.81 g/mol
LogP0.20
Rot. Bonds2

About 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride

3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119984050) has the molecular formula C10H19ClN4O2S and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119984050
Molecular FormulaC10H19ClN4O2S
Molecular Weight294.81 g/mol
Exact Mass294.09
IUPAC Name3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cn(C)cn2)CCC1N.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-8-5-14(4-3-9(8)11)17(15,16)10-6-13(2)7-12-10;/h6-9H,3-5,11H2,1-2H3;1H
InChIKeyWEVKYTYSYYWNQF-UHFFFAOYSA-N
XLogP0.20
TPSA81.22 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 ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
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4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
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[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
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1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
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1-(1-methylimidazol-4-yl)sulfonylpiperazine
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3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine
CID 104710309
2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine
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CID 119984054

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride (CID 119984050) is 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride is CC1CN(S(=O)(=O)c2cn(C)cn2)CCC1N.Cl.
What is the InChIKey of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is WEVKYTYSYYWNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S.ClH/c1-8-5-14(4-3-9(8)11)17(15,16)10-6-13(2)7-12-10;/h6-9H,3-5,11H2,1-2H3;1H.
What are the key properties of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 294.81 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119984050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).