(3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine

C15H28N4O2S — CID 124865969

IUPAC(3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1nccn1C
InChIInChI=1S/C15H28N4O2S/c1-5-13-11-19(22(20,21)12(2)3)8-6-14(13)17-10-15-16-7-9-18(15)4/h7,9,12-14,17H,5-6,8,10-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyJAYICVSTXDJEMO-ZIAGYGMSSA-N
MW328.48 g/mol
LogP1.35
Rot. Bonds6

About (3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine

(3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine (PubChem CID 124865969) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is (3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
PubChem CID124865969
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Name(3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1nccn1C
InChIInChI=1S/C15H28N4O2S/c1-5-13-11-19(22(20,21)12(2)3)8-6-14(13)17-10-15-16-7-9-18(15)4/h7,9,12-14,17H,5-6,8,10-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyJAYICVSTXDJEMO-ZIAGYGMSSA-N
XLogP1.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine with MolForge

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Related Compounds

3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 71927317
2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61466819
(3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 124866279
(3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 124726925
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78928226
(3S,4S)-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 95780791
(3S,4R)-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 100837983
3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 71871941
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 43088207
N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664709
(3S,4S)-N-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 95780701
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The IUPAC name of (3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine (CID 124865969) is (3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for (3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The canonical SMILES for (3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine is CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1nccn1C.
What is the InChIKey of (3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The InChIKey is JAYICVSTXDJEMO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-5-13-11-19(22(20,21)12(2)3)8-6-14(13)17-10-15-16-7-9-18(15)4/h7,9,12-14,17H,5-6,8,10-11H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
(3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine has a molecular weight of 328.48 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 124865969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).