(2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide

C19H26N4O3S — CID 129325928

IUPAC(2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide
SMILESCc1cc(N2CCC[C@@H](NS(=O)(=O)C[C@@H](C)c3ccccc3)C2=O)n(C)n1
InChIInChI=1S/C19H26N4O3S/c1-14(16-8-5-4-6-9-16)13-27(25,26)21-17-10-7-11-23(19(17)24)18-12-15(2)20-22(18)3/h4-6,8-9,12,14,17,21H,7,10-11,13H2,1-3H3/t14-,17-/m1/s1
InChIKeyDZIYGYBZNBTRDZ-RHSMWYFYSA-N
MW390.51 g/mol
LogP1.95
Rot. Bonds6

About (2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide

(2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide (PubChem CID 129325928) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is (2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide
PubChem CID129325928
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name(2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide
SMILESCc1cc(N2CCC[C@@H](NS(=O)(=O)C[C@@H](C)c3ccccc3)C2=O)n(C)n1
InChIInChI=1S/C19H26N4O3S/c1-14(16-8-5-4-6-9-16)13-27(25,26)21-17-10-7-11-23(19(17)24)18-12-15(2)20-22(18)3/h4-6,8-9,12,14,17,21H,7,10-11,13H2,1-3H3/t14-,17-/m1/s1
InChIKeyDZIYGYBZNBTRDZ-RHSMWYFYSA-N
XLogP1.95
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide?
The IUPAC name of (2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide (CID 129325928) is (2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for (2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide?
The canonical SMILES for (2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide is Cc1cc(N2CCC[C@@H](NS(=O)(=O)C[C@@H](C)c3ccccc3)C2=O)n(C)n1.
What is the InChIKey of (2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide?
The InChIKey is DZIYGYBZNBTRDZ-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-14(16-8-5-4-6-9-16)13-27(25,26)21-17-10-7-11-23(19(17)24)18-12-15(2)20-22(18)3/h4-6,8-9,12,14,17,21H,7,10-11,13H2,1-3H3/t14-,17-/m1/s1.
What are the key properties of (2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide?
(2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 129325928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).