N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide

C14H22N2O5S — CID 162789736

IUPACN-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
SMILESCOc1ccc(CNC2COC(CNS(C)(=O)=O)C2O)cc1
InChIInChI=1S/C14H22N2O5S/c1-20-11-5-3-10(4-6-11)7-15-12-9-21-13(14(12)17)8-16-22(2,18)19/h3-6,12-17H,7-9H2,1-2H3
InChIKeyCTKMXOJSJWMBQC-UHFFFAOYSA-N
MW330.41 g/mol
LogP-0.54
Rot. Bonds7

About N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide

N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide (PubChem CID 162789736) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
PubChem CID162789736
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
SMILESCOc1ccc(CNC2COC(CNS(C)(=O)=O)C2O)cc1
InChIInChI=1S/C14H22N2O5S/c1-20-11-5-3-10(4-6-11)7-15-12-9-21-13(14(12)17)8-16-22(2,18)19/h3-6,12-17H,7-9H2,1-2H3
InChIKeyCTKMXOJSJWMBQC-UHFFFAOYSA-N
XLogP-0.54
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536753
N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide
CID 162970604
N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]methanesulfonamide
CID 75536671
N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide
CID 75536658
(5R,6S)-6-[(4-methoxyphenyl)methylamino]-2,2-dimethyl-1,3-dioxepan-5-ol
CID 169210448
4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536640
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 162789965
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162812543
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621

Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide (CID 162789736) is N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide is COc1ccc(CNC2COC(CNS(C)(=O)=O)C2O)cc1.
What is the InChIKey of N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide?
The InChIKey is CTKMXOJSJWMBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-20-11-5-3-10(4-6-11)7-15-12-9-21-13(14(12)17)8-16-22(2,18)19/h3-6,12-17H,7-9H2,1-2H3.
What are the key properties of N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide?
N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of -0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 162789736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).