(1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine

C17H24N4O2S — CID 124689676

IUPAC(1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESC[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H24N4O2S/c1-14(18)17-9-5-6-10-21(17)24(22,23)16-11-19-20(13-16)12-15-7-3-2-4-8-15/h2-4,7-8,11,13-14,17H,5-6,9-10,12,18H2,1H3/t14-,17+/m1/s1
InChIKeyFQUADINPGBRKGC-PBHICJAKSA-N
MW348.47 g/mol
LogP1.82
Rot. Bonds5

About (1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine

(1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine (PubChem CID 124689676) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is (1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
PubChem CID124689676
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name(1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESC[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H24N4O2S/c1-14(18)17-9-5-6-10-21(17)24(22,23)16-11-19-20(13-16)12-15-7-3-2-4-8-15/h2-4,7-8,11,13-14,17H,5-6,9-10,12,18H2,1H3/t14-,17+/m1/s1
InChIKeyFQUADINPGBRKGC-PBHICJAKSA-N
XLogP1.82
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 125146183
2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
CID 136549115
1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255131
1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965267
(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
(2S,5S)-4-(1-benzylpyrazol-4-yl)sulfonyl-2,5-dimethylmorpholine
CID 98750623
3-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 125118493
1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine
CID 63255090
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 63255080
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63254819
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of (1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine (CID 124689676) is (1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for (1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for (1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine is C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of (1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is FQUADINPGBRKGC-PBHICJAKSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-14(18)17-9-5-6-10-21(17)24(22,23)16-11-19-20(13-16)12-15-7-3-2-4-8-15/h2-4,7-8,11,13-14,17H,5-6,9-10,12,18H2,1H3/t14-,17+/m1/s1.
What are the key properties of (1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
(1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 348.47 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 124689676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).