3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine

C14H26N4O2S — CID 71927317

IUPAC3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCCC1CN(S(C)(=O)=O)CCC1NCc1nccn1CC
InChIInChI=1S/C14H26N4O2S/c1-4-12-11-18(21(3,19)20)8-6-13(12)16-10-14-15-7-9-17(14)5-2/h7,9,12-13,16H,4-6,8,10-11H2,1-3H3
InChIKeyKNYNVTBZUMBJRD-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.05
Rot. Bonds6

About 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine

3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 71927317) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID71927317
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCCC1CN(S(C)(=O)=O)CCC1NCc1nccn1CC
InChIInChI=1S/C14H26N4O2S/c1-4-12-11-18(21(3,19)20)8-6-13(12)16-10-14-15-7-9-17(14)5-2/h7,9,12-13,16H,4-6,8,10-11H2,1-3H3
InChIKeyKNYNVTBZUMBJRD-UHFFFAOYSA-N
XLogP1.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-N-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 95780701
(3S,4R)-N-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 95780700
(3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 124865969
(3R,4S)-3-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 97026929
[5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol
CID 124743357
4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide
CID 97026922
N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64910386
(3R,4R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethyl-1-methylsulfonylpiperidin-4-amine
CID 124740462
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638
N-[(1-ethylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62350841
2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61466819
N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471784

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine (CID 71927317) is 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine is CCC1CN(S(C)(=O)=O)CCC1NCc1nccn1CC.
What is the InChIKey of 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is KNYNVTBZUMBJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-12-11-18(21(3,19)20)8-6-13(12)16-10-14-15-7-9-17(14)5-2/h7,9,12-13,16H,4-6,8,10-11H2,1-3H3.
What are the key properties of 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 314.46 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 71927317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).