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

C14H23NO3S — CID 111448439

IUPACN-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C14H23NO3S/c1-3-12(2)11-19(17,18)15-14(9-10-16)13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3/t12?,14-/m1/s1
InChIKeyZSGKSTBNHBDTKV-TYZXPVIJSA-N
MW285.41 g/mol
LogP2.08
Rot. Bonds8

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

N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide (PubChem CID 111448439) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide
PubChem CID111448439
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C14H23NO3S/c1-3-12(2)11-19(17,18)15-14(9-10-16)13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3/t12?,14-/m1/s1
InChIKeyZSGKSTBNHBDTKV-TYZXPVIJSA-N
XLogP2.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide
CID 111448440
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylpropane-1-sulfonamide
CID 107863620
N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
CID 111448436
3-chloro-2-methyl-N-(3-methyl-1-phenylbutyl)propane-1-sulfonamide
CID 79586380
(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide
CID 97025412
(2S)-4-hydroxy-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 104935033
N-(1,4-diphenylbutyl)propane-1-sulfonamide
CID 60580802
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686458
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene
CID 75387205
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide?
The IUPAC name of N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide (CID 111448439) is N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide?
The canonical SMILES for N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide is CCC(C)CS(=O)(=O)N[C@H](CCO)c1ccccc1.
What is the InChIKey of N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide?
The InChIKey is ZSGKSTBNHBDTKV-TYZXPVIJSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-12(2)11-19(17,18)15-14(9-10-16)13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3/t12?,14-/m1/s1.
What are the key properties of N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide?
N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide is sourced from PubChem (CID 111448439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).