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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Related Compounds

N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990565
1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779338
(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-3-ol
CID 129471869
3-[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120825709
N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide
CID 96566390
(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 97048201
3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine
CID 120779320
3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999601
2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine
CID 84599896
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride
CID 120779209
1-(1-ethyl-3-nitropyrazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778970

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).