N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide

C10H20N2O6S — CID 91789098

IUPACN-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)N[C@@H]1COCC[C@@H]1OCCO
InChIInChI=1S/C10H20N2O6S/c1-19(15,16)11-6-10(14)12-8-7-17-4-2-9(8)18-5-3-13/h8-9,11,13H,2-7H2,1H3,(H,12,14)/t8-,9+/m1/s1
InChIKeyMJIMXWNWCDNIOJ-BDAKNGLRSA-N
MW296.35 g/mol
LogP-2.18
Rot. Bonds7

About N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide

N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide (PubChem CID 91789098) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide
PubChem CID91789098
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC NameN-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)N[C@@H]1COCC[C@@H]1OCCO
InChIInChI=1S/C10H20N2O6S/c1-19(15,16)11-6-10(14)12-8-7-17-4-2-9(8)18-5-3-13/h8-9,11,13H,2-7H2,1H3,(H,12,14)/t8-,9+/m1/s1
InChIKeyMJIMXWNWCDNIOJ-BDAKNGLRSA-N
XLogP-2.18
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid
CID 91765912
2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91782131
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide
CID 91798271
6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91769238
3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
CID 91792493
3-(methanesulfonamido)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide
CID 91789955
1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea
CID 133266871
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide
CID 91783033
N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 91785949
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 91761241
4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
CID 91772259
N-(4-methoxyoxan-3-yl)acetamide
CID 157037977

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide (CID 91789098) is N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide is CS(=O)(=O)NCC(=O)N[C@@H]1COCC[C@@H]1OCCO.
What is the InChIKey of N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide?
The InChIKey is MJIMXWNWCDNIOJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-19(15,16)11-6-10(14)12-8-7-17-4-2-9(8)18-5-3-13/h8-9,11,13H,2-7H2,1H3,(H,12,14)/t8-,9+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide?
N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide has a molecular weight of 296.35 g/mol, XLogP of -2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 91789098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).