2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate

C10H24N2O8S2 — CID 6336301

IUPAC2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCNC[C@@H](O)[C@H](O)CNCCOS(C)(=O)=O
InChIInChI=1S/C10H24N2O8S2/c1-21(15,16)19-5-3-11-7-9(13)10(14)8-12-4-6-20-22(2,17)18/h9-14H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyBYZJBHCTZJGJFV-NXEZZACHSA-N
MW364.44 g/mol
LogP-3.16
Rot. Bonds13

About 2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate

2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate (PubChem CID 6336301) has the molecular formula C10H24N2O8S2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate
PubChem CID6336301
Molecular FormulaC10H24N2O8S2
Molecular Weight364.44 g/mol
Exact Mass364.10
IUPAC Name2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCNC[C@@H](O)[C@H](O)CNCCOS(C)(=O)=O
InChIInChI=1S/C10H24N2O8S2/c1-21(15,16)19-5-3-11-7-9(13)10(14)8-12-4-6-20-22(2,17)18/h9-14H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyBYZJBHCTZJGJFV-NXEZZACHSA-N
XLogP-3.16
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 5-3.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate with MolForge

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Related Compounds

2-(ethylamino)ethyl methanesulfonate
CID 89142204
tert-butyl formate;2-[[(2R)-2-methoxypropyl]amino]ethyl methanesulfonate
CID 160865981
3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate;hydrochloride
CID 5284401
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;4-methylsulfonyloxybutyl methanesulfonate
CID 23617416
3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
CID 106724486
[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-methylsulfonyloxyhexyl] methanesulfonate
CID 97038452
2-(ethoxycarbonylamino)ethyl methanesulfonate
CID 19775872
3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol
CID 106285645
[(3S)-4-chloro-3-hydroxybutyl] methanesulfonate
CID 10910602
5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol
CID 21257697
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
2-[methyl(propan-2-yl)phosphanyl]ethyl methanesulfonate
CID 134897434

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate?
The IUPAC name of 2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate (CID 6336301) is 2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate.
What is the SMILES notation for 2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate?
The canonical SMILES for 2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate is CS(=O)(=O)OCCNC[C@@H](O)[C@H](O)CNCCOS(C)(=O)=O.
What is the InChIKey of 2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate?
The InChIKey is BYZJBHCTZJGJFV-NXEZZACHSA-N. The full InChI is InChI=1S/C10H24N2O8S2/c1-21(15,16)19-5-3-11-7-9(13)10(14)8-12-4-6-20-22(2,17)18/h9-14H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of 2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate?
2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate has a molecular weight of 364.44 g/mol, XLogP of -3.16, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate is sourced from PubChem (CID 6336301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).