N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride

C9H21ClN2O4S — CID 164580535

IUPACN-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride
SMILESCOCCS(=O)(=O)NC[C@@H]1CC[C@@H](N)CO1.Cl
InChIInChI=1S/C9H20N2O4S.ClH/c1-14-4-5-16(12,13)11-6-9-3-2-8(10)7-15-9;/h8-9,11H,2-7,10H2,1H3;1H/t8-,9+;/m1./s1
InChIKeyKLJGDVGUFUBILR-RJUBDTSPSA-N
MW288.80 g/mol
LogP-0.52
Rot. Bonds6

About N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride

N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride (PubChem CID 164580535) has the molecular formula C9H21ClN2O4S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride
PubChem CID164580535
Molecular FormulaC9H21ClN2O4S
Molecular Weight288.80 g/mol
Exact Mass288.09
IUPAC NameN-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride
SMILESCOCCS(=O)(=O)NC[C@@H]1CC[C@@H](N)CO1.Cl
InChIInChI=1S/C9H20N2O4S.ClH/c1-14-4-5-16(12,13)11-6-9-3-2-8(10)7-15-9;/h8-9,11H,2-7,10H2,1H3;1H/t8-,9+;/m1./s1
InChIKeyKLJGDVGUFUBILR-RJUBDTSPSA-N
XLogP-0.52
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride?
The IUPAC name of N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride (CID 164580535) is N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride?
The canonical SMILES for N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride is COCCS(=O)(=O)NC[C@@H]1CC[C@@H](N)CO1.Cl.
What is the InChIKey of N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride?
The InChIKey is KLJGDVGUFUBILR-RJUBDTSPSA-N. The full InChI is InChI=1S/C9H20N2O4S.ClH/c1-14-4-5-16(12,13)11-6-9-3-2-8(10)7-15-9;/h8-9,11H,2-7,10H2,1H3;1H/t8-,9+;/m1./s1.
What are the key properties of N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride?
N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride has a molecular weight of 288.80 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-methoxyethanesulfonamide;hydrochloride is sourced from PubChem (CID 164580535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).