N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide

C14H22N2O4S — CID 75536660

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
SMILESCc1ccc(CN[C@@H]2CO[C@H](CNS(C)(=O)=O)[C@H]2O)cc1
InChIInChI=1S/C14H22N2O4S/c1-10-3-5-11(6-4-10)7-15-12-9-20-13(14(12)17)8-16-21(2,18)19/h3-6,12-17H,7-9H2,1-2H3/t12-,13-,14+/m1/s1
InChIKeyKUEOHQTYQGYWKE-MCIONIFRSA-N
MW314.41 g/mol
LogP-0.24
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide

N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide (PubChem CID 75536660) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
PubChem CID75536660
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
SMILESCc1ccc(CN[C@@H]2CO[C@H](CNS(C)(=O)=O)[C@H]2O)cc1
InChIInChI=1S/C14H22N2O4S/c1-10-3-5-11(6-4-10)7-15-12-9-20-13(14(12)17)8-16-21(2,18)19/h3-6,12-17H,7-9H2,1-2H3/t12-,13-,14+/m1/s1
InChIKeyKUEOHQTYQGYWKE-MCIONIFRSA-N
XLogP-0.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-methylphenyl)methylamino]methyl]oxolane-3,4-diol
CID 44585404
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide
CID 75410009
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide
CID 75410013
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
CID 75536683
N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
CID 75536693
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75536706
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75536707
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
CID 75536666
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75536700
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75536703
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75536713
(3R,4S)-4-(((S)-1-Phenylethyl)amino)tetrahydrofuran-3-ol
CID 59896143

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide (CID 75536660) is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide is Cc1ccc(CN[C@@H]2CO[C@H](CNS(C)(=O)=O)[C@H]2O)cc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide?
The InChIKey is KUEOHQTYQGYWKE-MCIONIFRSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10-3-5-11(6-4-10)7-15-12-9-20-13(14(12)17)8-16-21(2,18)19/h3-6,12-17H,7-9H2,1-2H3/t12-,13-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide has a molecular weight of 314.41 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 75536660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).