(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide

C15H24N2O3S — CID 100879746

IUPAC(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)C1
InChIInChI=1S/C15H24N2O3S/c1-13-6-5-9-17(12-13)21(19,20)16-11-15(18)10-14-7-3-2-4-8-14/h2-4,7-8,13,15-16,18H,5-6,9-12H2,1H3/t13-,15+/m1/s1
InChIKeyXQTKXDJSRVJPNI-HIFRSBDPSA-N
MW312.43 g/mol
LogP1.16
Rot. Bonds6

About (3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide

(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 100879746) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
PubChem CID100879746
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)C1
InChIInChI=1S/C15H24N2O3S/c1-13-6-5-9-17(12-13)21(19,20)16-11-15(18)10-14-7-3-2-4-8-14/h2-4,7-8,13,15-16,18H,5-6,9-12H2,1H3/t13-,15+/m1/s1
InChIKeyXQTKXDJSRVJPNI-HIFRSBDPSA-N
XLogP1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid
CID 136549040
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide
CID 43461523
2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 94809275
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
(3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
CID 51939583
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066565
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide
CID 166249626
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 62665582

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide (CID 100879746) is (3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide is C[C@@H]1CCCN(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)C1.
What is the InChIKey of (3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is XQTKXDJSRVJPNI-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13-6-5-9-17(12-13)21(19,20)16-11-15(18)10-14-7-3-2-4-8-14/h2-4,7-8,13,15-16,18H,5-6,9-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide?
(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 100879746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).