2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide

C10H20N2O5S — CID 91795253

IUPAC2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@@H]1COCC[C@H]1NS(C)(=O)=O
InChIInChI=1S/C10H20N2O5S/c1-12(2)10(13)7-17-9-6-16-5-4-8(9)11-18(3,14)15/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyGDPBWLOALRNQMR-RKDXNWHRSA-N
MW280.35 g/mol
LogP-1.20
Rot. Bonds5

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

2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide (PubChem CID 91795253) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide
PubChem CID91795253
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@@H]1COCC[C@H]1NS(C)(=O)=O
InChIInChI=1S/C10H20N2O5S/c1-12(2)10(13)7-17-9-6-16-5-4-8(9)11-18(3,14)15/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyGDPBWLOALRNQMR-RKDXNWHRSA-N
XLogP-1.20
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide
CID 91798255
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide
CID 91785227
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 91772540
2-[(3S,4R)-4-[3-[methyl(methylsulfonyl)amino]propanoylamino]oxan-3-yl]oxyacetic acid
CID 91829712
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide
CID 91798271
3-chloro-N-[(3R,4S)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-fluorobenzamide
CID 164636415
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 91778744
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 91797893
N-(3-ethoxyoxan-4-yl)acetamide
CID 131089007
2-[(3S,4R)-4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]oxan-3-yl]oxyacetic acid
CID 91761890
N,N-dimethyl-2-[[(6R)-4-methylsulfonyl-1,4-oxazepan-6-yl]oxy]acetamide
CID 75367817
N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide
CID 163088747

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide (CID 91795253) is 2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide is CN(C)C(=O)CO[C@@H]1COCC[C@H]1NS(C)(=O)=O.
What is the InChIKey of 2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide?
The InChIKey is GDPBWLOALRNQMR-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-12(2)10(13)7-17-9-6-16-5-4-8(9)11-18(3,14)15/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of 2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide?
2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide has a molecular weight of 280.35 g/mol, XLogP of -1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 91795253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).