N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide

C15H24N2O3S — CID 115754110

IUPACN-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC(C)(CO)c2ccccc2)C1
InChIInChI=1S/C15H24N2O3S/c1-13-7-6-10-17(11-13)21(19,20)16-15(2,12-18)14-8-4-3-5-9-14/h3-5,8-9,13,16,18H,6-7,10-12H2,1-2H3
InChIKeySVLGISCFRGQMNQ-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.46
Rot. Bonds5

About N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide

N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide (PubChem CID 115754110) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide
PubChem CID115754110
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC(C)(CO)c2ccccc2)C1
InChIInChI=1S/C15H24N2O3S/c1-13-7-6-10-17(11-13)21(19,20)16-15(2,12-18)14-8-4-3-5-9-14/h3-5,8-9,13,16,18H,6-7,10-12H2,1-2H3
InChIKeySVLGISCFRGQMNQ-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 105060270
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide
CID 105060539
(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
CID 100879746
N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 114293836
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol
CID 55055369
(2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide
CID 100853100
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
2-[(3R)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132831
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43342652

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide (CID 115754110) is N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NC(C)(CO)c2ccccc2)C1.
What is the InChIKey of N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is SVLGISCFRGQMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13-7-6-10-17(11-13)21(19,20)16-15(2,12-18)14-8-4-3-5-9-14/h3-5,8-9,13,16,18H,6-7,10-12H2,1-2H3.
What are the key properties of N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide?
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 115754110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).