(3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine

C15H28N4O2S — CID 124866279

IUPAC(3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1cn[nH]c1C
InChIInChI=1S/C15H28N4O2S/c1-5-13-10-19(22(20,21)11(2)3)7-6-15(13)16-8-14-9-17-18-12(14)4/h9,11,13,15-16H,5-8,10H2,1-4H3,(H,17,18)/t13-,15+/m0/s1
InChIKeyQYZWFSZFHYGESF-DZGCQCFKSA-N
MW328.48 g/mol
LogP1.65
Rot. Bonds6

About (3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine

(3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine (PubChem CID 124866279) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is (3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
PubChem CID124866279
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Name(3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1cn[nH]c1C
InChIInChI=1S/C15H28N4O2S/c1-5-13-10-19(22(20,21)11(2)3)7-6-15(13)16-8-14-9-17-18-12(14)4/h9,11,13,15-16H,5-8,10H2,1-4H3,(H,17,18)/t13-,15+/m0/s1
InChIKeyQYZWFSZFHYGESF-DZGCQCFKSA-N
XLogP1.65
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine with MolForge

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Related Compounds

3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 71927290
3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 71871941
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine
CID 114507117
4-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106015085
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62703899
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 71927317
(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 95780808
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 61210854
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073424
(3R,4S)-3-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 97026929
(3S,4S)-N-(1H-indol-4-ylmethyl)-3-methyl-1-propan-2-ylsulfonylpiperidin-4-amine
CID 95780799
N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine
CID 114507143

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine (CID 124866279) is (3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine is CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1cn[nH]c1C.
What is the InChIKey of (3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The InChIKey is QYZWFSZFHYGESF-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-5-13-10-19(22(20,21)11(2)3)7-6-15(13)16-8-14-9-17-18-12(14)4/h9,11,13,15-16H,5-8,10H2,1-4H3,(H,17,18)/t13-,15+/m0/s1.
What are the key properties of (3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
(3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine has a molecular weight of 328.48 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 124866279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).