1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine

C12H22N4O2S — CID 62743069

IUPAC1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCc2cnc(C)[nH]2)CC1
InChIInChI=1S/C12H22N4O2S/c1-3-19(17,18)16-6-4-11(5-7-16)14-9-12-8-13-10(2)15-12/h8,11,14H,3-7,9H2,1-2H3,(H,13,15)
InChIKeyXOHXHDRRKLPYFD-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.62
Rot. Bonds5

About 1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine

1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine (PubChem CID 62743069) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine
PubChem CID62743069
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCc2cnc(C)[nH]2)CC1
InChIInChI=1S/C12H22N4O2S/c1-3-19(17,18)16-6-4-11(5-7-16)14-9-12-8-13-10(2)15-12/h8,11,14H,3-7,9H2,1-2H3,(H,13,15)
InChIKeyXOHXHDRRKLPYFD-UHFFFAOYSA-N
XLogP0.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine (CID 62743069) is 1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine is CCS(=O)(=O)N1CCC(NCc2cnc(C)[nH]2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is XOHXHDRRKLPYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-19(17,18)16-6-4-11(5-7-16)14-9-12-8-13-10(2)15-12/h8,11,14H,3-7,9H2,1-2H3,(H,13,15).
What are the key properties of 1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine?
1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 286.40 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 62743069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).