[(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine

C17H24N4O2S — CID 125146183

IUPAC[(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine
SMILESC[C@H]1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)[C@H]1CN
InChIInChI=1S/C17H24N4O2S/c1-14-6-5-9-21(17(14)10-18)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-/m0/s1
InChIKeyFLJCVYFQBVKSNW-YOEHRIQHSA-N
MW348.47 g/mol
LogP1.68
Rot. Bonds5

About [(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine

[(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine (PubChem CID 125146183) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is [(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine
PubChem CID125146183
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name[(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine
SMILESC[C@H]1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)[C@H]1CN
InChIInChI=1S/C17H24N4O2S/c1-14-6-5-9-21(17(14)10-18)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-/m0/s1
InChIKeyFLJCVYFQBVKSNW-YOEHRIQHSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 124689676
2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
CID 136549115
[3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 102783777
(2S,5S)-4-(1-benzylpyrazol-4-yl)sulfonyl-2,5-dimethylmorpholine
CID 98750623
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylbenzenesulfonamide;hydrochloride
CID 119984868
[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124677567
2-[4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylphenyl]acetonitrile
CID 79203419
[3-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984944
1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 86870315
4-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-6-phenylmorpholine
CID 86870426
[(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124688215
methyl 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119984950

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine (CID 125146183) is [(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine is C[C@H]1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)[C@H]1CN.
What is the InChIKey of [(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The InChIKey is FLJCVYFQBVKSNW-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-14-6-5-9-21(17(14)10-18)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-/m0/s1.
What are the key properties of [(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
[(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine has a molecular weight of 348.47 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 125146183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).