3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride

C14H27ClN4O2S — CID 120779629

IUPAC3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
SMILESCC(C)Cn1cnc(S(=O)(=O)N2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C14H26N4O2S.ClH/c1-11(2)7-17-8-13(16-10-17)21(19,20)18-6-5-12(15)14(3,4)9-18;/h8,10-12H,5-7,9,15H2,1-4H3;1H
InChIKeyHTBQBSCMWICYPE-UHFFFAOYSA-N
MW350.92 g/mol
LogP1.71
Rot. Bonds4

About 3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride

3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 120779629) has the molecular formula C14H27ClN4O2S and a molecular weight of 350.92 g/mol. Its IUPAC name is 3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
PubChem CID120779629
Molecular FormulaC14H27ClN4O2S
Molecular Weight350.92 g/mol
Exact Mass350.15
IUPAC Name3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
SMILESCC(C)Cn1cnc(S(=O)(=O)N2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C14H26N4O2S.ClH/c1-11(2)7-17-8-13(16-10-17)21(19,20)18-6-5-12(15)14(3,4)9-18;/h8,10-12H,5-7,9,15H2,1-4H3;1H
InChIKeyHTBQBSCMWICYPE-UHFFFAOYSA-N
XLogP1.71
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride (CID 120779629) is 3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride is CC(C)Cn1cnc(S(=O)(=O)N2CCC(N)C(C)(C)C2)c1.Cl.
What is the InChIKey of 3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is HTBQBSCMWICYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S.ClH/c1-11(2)7-17-8-13(16-10-17)21(19,20)18-6-5-12(15)14(3,4)9-18;/h8,10-12H,5-7,9,15H2,1-4H3;1H.
What are the key properties of 3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride?
3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 350.92 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120779629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).