(2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid

C16H22N2O5S — CID 122114835

IUPAC(2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H22N2O5S/c1-12-14(16(20)21)8-5-11-18(12)15(19)9-10-17-24(22,23)13-6-3-2-4-7-13/h2-4,6-7,12,14,17H,5,8-11H2,1H3,(H,20,21)/t12-,14-/m1/s1
InChIKeyMHGPAFLTNXNGFT-TZMCWYRMSA-N
MW354.43 g/mol
LogP1.07
Rot. Bonds6

About (2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid (PubChem CID 122114835) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is (2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid
PubChem CID122114835
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name(2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H22N2O5S/c1-12-14(16(20)21)8-5-11-18(12)15(19)9-10-17-24(22,23)13-6-3-2-4-7-13/h2-4,6-7,12,14,17H,5,8-11H2,1H3,(H,20,21)/t12-,14-/m1/s1
InChIKeyMHGPAFLTNXNGFT-TZMCWYRMSA-N
XLogP1.07
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
2-[3-(benzenesulfonamido)propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 120521015
(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366041
(2R,3R)-2-methyl-1-(3-phenylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 122114673
(2R,3R)-2-methyl-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122115329
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119647023
N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide
CID 51088688
(2R,3R)-1-[3-(furan-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116502
(2R,3R)-2-methyl-1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 122115197
(2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115765
(2R,3R)-2-methyl-1-[2-(2-phenylethoxy)acetyl]piperidine-3-carboxylic acid
CID 122115714
(2R,3R)-1-(3-cyclopropylpropanoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115908

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid (CID 122114835) is (2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of (2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid?
The InChIKey is MHGPAFLTNXNGFT-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-12-14(16(20)21)8-5-11-18(12)15(19)9-10-17-24(22,23)13-6-3-2-4-7-13/h2-4,6-7,12,14,17H,5,8-11H2,1H3,(H,20,21)/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid has a molecular weight of 354.43 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122114835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).