1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine

C12H22N4O2S — CID 120779338

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCc1nc(S(=O)(=O)N2CCC(N)C(C)(C)C2)cn1C
InChIInChI=1S/C12H22N4O2S/c1-9-14-11(7-15(9)4)19(17,18)16-6-5-10(13)12(2,3)8-16/h7,10H,5-6,8,13H2,1-4H3
InChIKeyAOOJGMMAWAXTDO-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.48
Rot. Bonds2

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine

1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine (PubChem CID 120779338) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
PubChem CID120779338
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCc1nc(S(=O)(=O)N2CCC(N)C(C)(C)C2)cn1C
InChIInChI=1S/C12H22N4O2S/c1-9-14-11(7-15(9)4)19(17,18)16-6-5-10(13)12(2,3)8-16/h7,10H,5-6,8,13H2,1-4H3
InChIKeyAOOJGMMAWAXTDO-UHFFFAOYSA-N
XLogP0.48
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromopyrrolidin-1-yl)sulfonyl-1,2-dimethylimidazole
CID 80667755
4-(1-bromoethyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 106839595
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63033046
[1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960889
3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 120779629
1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 63259384
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
CID 114267693
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-methylpiperidin-3-amine
CID 62536924
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63877764
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162680
5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 121170841
3,3-dimethyl-1-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-amine
CID 120778866

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine (CID 120779338) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine is Cc1nc(S(=O)(=O)N2CCC(N)C(C)(C)C2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The InChIKey is AOOJGMMAWAXTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-14-11(7-15(9)4)19(17,18)16-6-5-10(13)12(2,3)8-16/h7,10H,5-6,8,13H2,1-4H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine has a molecular weight of 286.40 g/mol, XLogP of 0.48, 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-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120779338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).