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

C16H30N4O2S — CID 124726925

IUPAC(3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1cnn(CC)c1
InChIInChI=1S/C16H30N4O2S/c1-5-15-12-20(23(21,22)13(3)4)8-7-16(15)17-9-14-10-18-19(6-2)11-14/h10-11,13,15-17H,5-9,12H2,1-4H3/t15-,16-/m1/s1
InChIKeyCKWADOQRIYFTQW-HZPDHXFCSA-N
MW342.51 g/mol
LogP1.83
Rot. Bonds7

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

(3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine (PubChem CID 124726925) has the molecular formula C16H30N4O2S and a molecular weight of 342.51 g/mol. Its IUPAC name is (3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
PubChem CID124726925
Molecular FormulaC16H30N4O2S
Molecular Weight342.51 g/mol
Exact Mass342.21
IUPAC Name(3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1cnn(CC)c1
InChIInChI=1S/C16H30N4O2S/c1-5-15-12-20(23(21,22)13(3)4)8-7-16(15)17-9-14-10-18-19(6-2)11-14/h10-11,13,15-17H,5-9,12H2,1-4H3/t15-,16-/m1/s1
InChIKeyCKWADOQRIYFTQW-HZPDHXFCSA-N
XLogP1.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 71927290
(3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 124865969
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115622223
2-(chloromethyl)-N-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365342
[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 115655039
1-[(3S,4S)-4-[(1-benzylpyrazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097630
(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 95780808
3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 71871941
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
(3R,4S)-3-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 97026929
4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide
CID 97026922
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The IUPAC name of (3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine (CID 124726925) is (3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for (3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The canonical SMILES for (3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine is CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1cnn(CC)c1.
What is the InChIKey of (3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The InChIKey is CKWADOQRIYFTQW-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H30N4O2S/c1-5-15-12-20(23(21,22)13(3)4)8-7-16(15)17-9-14-10-18-19(6-2)11-14/h10-11,13,15-17H,5-9,12H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
(3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine has a molecular weight of 342.51 g/mol, XLogP of 1.83, 7 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-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 124726925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).