N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide

C10H22N2O4S — CID 91798271

IUPACN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide
SMILESCN(C)CCO[C@H]1CCOC[C@H]1NS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-12(2)5-7-16-10-4-6-15-8-9(10)11-17(3,13)14/h9-11H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyLYDPZVQFFHITGI-ZJUUUORDSA-N
MW266.36 g/mol
LogP-0.73
Rot. Bonds6

About N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide

N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide (PubChem CID 91798271) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide
PubChem CID91798271
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide
SMILESCN(C)CCO[C@H]1CCOC[C@H]1NS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-12(2)5-7-16-10-4-6-15-8-9(10)11-17(3,13)14/h9-11H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyLYDPZVQFFHITGI-ZJUUUORDSA-N
XLogP-0.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide
CID 133267426
2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide
CID 91795253
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide
CID 133266265
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 91761241
2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide
CID 91779438
N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide
CID 91789098
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 133268591
N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide
CID 133266066
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 91784775
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide
CID 91835763
5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
CID 91788646
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-methyl-2-(4-methylphenoxy)propanamide
CID 91786617

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide (CID 91798271) is N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide is CN(C)CCO[C@H]1CCOC[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide?
The InChIKey is LYDPZVQFFHITGI-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-12(2)5-7-16-10-4-6-15-8-9(10)11-17(3,13)14/h9-11H,4-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide?
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide has a molecular weight of 266.36 g/mol, XLogP of -0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide is sourced from PubChem (CID 91798271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).