1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine

C12H22N4O2S — CID 107070823

IUPAC1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine
SMILESCCn1cc(S(=O)(=O)N2CCCC(C)C2N)nc1C
InChIInChI=1S/C12H22N4O2S/c1-4-15-8-11(14-10(15)3)19(17,18)16-7-5-6-9(2)12(16)13/h8-9,12H,4-7,13H2,1-3H3
InChIKeyNNBPHEKONZIIQS-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.92
Rot. Bonds3

About 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine

1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine (PubChem CID 107070823) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine.

Molecular Properties

Compound Name1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine
PubChem CID107070823
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine
SMILESCCn1cc(S(=O)(=O)N2CCCC(C)C2N)nc1C
InChIInChI=1S/C12H22N4O2S/c1-4-15-8-11(14-10(15)3)19(17,18)16-7-5-6-9(2)12(16)13/h8-9,12H,4-7,13H2,1-3H3
InChIKeyNNBPHEKONZIIQS-UHFFFAOYSA-N
XLogP0.92
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine?
The IUPAC name of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine (CID 107070823) is 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine.
What is the SMILES notation for 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine?
The canonical SMILES for 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine is CCn1cc(S(=O)(=O)N2CCCC(C)C2N)nc1C.
What is the InChIKey of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine?
The InChIKey is NNBPHEKONZIIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-15-8-11(14-10(15)3)19(17,18)16-7-5-6-9(2)12(16)13/h8-9,12H,4-7,13H2,1-3H3.
What are the key properties of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine?
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine has a molecular weight of 286.40 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine is sourced from PubChem (CID 107070823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).