(2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide

C18H24N4O3S — CID 125159743

IUPAC(2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](Cn1cccn1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N4O3S/c1-15(14-21-11-5-10-19-21)18(23)20-16-8-12-22(13-9-16)26(24,25)17-6-3-2-4-7-17/h2-7,10-11,15-16H,8-9,12-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyXVUBBOUEEMLCMJ-HNNXBMFYSA-N
MW376.48 g/mol
LogP1.49
Rot. Bonds6

About (2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide

(2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide (PubChem CID 125159743) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is (2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide
PubChem CID125159743
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name(2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](Cn1cccn1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N4O3S/c1-15(14-21-11-5-10-19-21)18(23)20-16-8-12-22(13-9-16)26(24,25)17-6-3-2-4-7-17/h2-7,10-11,15-16H,8-9,12-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyXVUBBOUEEMLCMJ-HNNXBMFYSA-N
XLogP1.49
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide (CID 125159743) is (2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide is C[C@@H](Cn1cccn1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of (2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide?
The InChIKey is XVUBBOUEEMLCMJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-15(14-21-11-5-10-19-21)18(23)20-16-8-12-22(13-9-16)26(24,25)17-6-3-2-4-7-17/h2-7,10-11,15-16H,8-9,12-14H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide?
(2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide has a molecular weight of 376.48 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 125159743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).