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

C14H22N2O6S2 — CID 75536666

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O
InChIInChI=1S/C14H22N2O6S2/c1-23(18,19)11-5-3-10(4-6-11)7-15-12-9-22-13(14(12)17)8-16-24(2,20)21/h3-6,12-17H,7-9H2,1-2H3/t12-,13-,14+/m1/s1
InChIKeyDOEFYKBDWYGMRN-MCIONIFRSA-N
MW378.47 g/mol
LogP-1.14
Rot. Bonds7

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

N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide (PubChem CID 75536666) has the molecular formula C14H22N2O6S2 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
PubChem CID75536666
Molecular FormulaC14H22N2O6S2
Molecular Weight378.47 g/mol
Exact Mass378.09
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O
InChIInChI=1S/C14H22N2O6S2/c1-23(18,19)11-5-3-10(4-6-11)7-15-12-9-22-13(14(12)17)8-16-24(2,20)21/h3-6,12-17H,7-9H2,1-2H3/t12-,13-,14+/m1/s1
InChIKeyDOEFYKBDWYGMRN-MCIONIFRSA-N
XLogP-1.14
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide (CID 75536666) is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide?
The InChIKey is DOEFYKBDWYGMRN-MCIONIFRSA-N. The full InChI is InChI=1S/C14H22N2O6S2/c1-23(18,19)11-5-3-10(4-6-11)7-15-12-9-22-13(14(12)17)8-16-24(2,20)21/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-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide has a molecular weight of 378.47 g/mol, XLogP of -1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 75536666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).