[(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate

C6H15NO6S2 — CID 164740036

IUPAC[(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate
SMILESCNC[C@@H](COS(C)(=O)=O)OS(C)(=O)=O
InChIInChI=1S/C6H15NO6S2/c1-7-4-6(13-15(3,10)11)5-12-14(2,8)9/h6-7H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyWNKWYWIRKGKDSY-LURJTMIESA-N
MW261.32 g/mol
LogP-1.47
Rot. Bonds7

About [(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate

[(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate (PubChem CID 164740036) has the molecular formula C6H15NO6S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate.

Molecular Properties

Compound Name[(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate
PubChem CID164740036
Molecular FormulaC6H15NO6S2
Molecular Weight261.32 g/mol
Exact Mass261.03
IUPAC Name[(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate
SMILESCNC[C@@H](COS(C)(=O)=O)OS(C)(=O)=O
InChIInChI=1S/C6H15NO6S2/c1-7-4-6(13-15(3,10)11)5-12-14(2,8)9/h6-7H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyWNKWYWIRKGKDSY-LURJTMIESA-N
XLogP-1.47
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-hydroxy-2-(hydroxymethyl)propyl] methanesulfonate
CID 71337924
(2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate
CID 167204103
[(2S)-3-hexadecoxy-2-methylsulfonyloxypropyl] methanesulfonate
CID 98094946
[(2R)-2,3-dimethoxypropyl] methanesulfonate
CID 124582874
(2-amino-3-hydroxy-3-methylsulfonyloxypropyl) methanesulfonate
CID 21337472
[(2S)-2-amino-3-hydroxy-3-methylsulfonyloxypropyl] methanesulfonate
CID 59891040
[(2R,3S,4R,5R)-2,3,5-trihydroxy-4,6-bis(methylsulfonyloxy)hexyl] methanesulfonate
CID 98534051
[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-methylsulfonyloxyhexyl] methanesulfonate
CID 97038452
[2-(fluoromethyl)-3-methylsulfonyloxypropyl] methanesulfonate
CID 135122818
2-propan-2-yloxybutyl methanesulfonate
CID 160973482
(3-fluoro-2-hydroxypropyl) methanesulfonate
CID 130127423
(1-hydroxy-5-oxopentan-2-yl) methanesulfonate
CID 71379664

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate?
The IUPAC name of [(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate (CID 164740036) is [(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate.
What is the SMILES notation for [(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate?
The canonical SMILES for [(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate is CNC[C@@H](COS(C)(=O)=O)OS(C)(=O)=O.
What is the InChIKey of [(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate?
The InChIKey is WNKWYWIRKGKDSY-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NO6S2/c1-7-4-6(13-15(3,10)11)5-12-14(2,8)9/h6-7H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of [(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate?
[(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate has a molecular weight of 261.32 g/mol, XLogP of -1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate is sourced from PubChem (CID 164740036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).