(2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid

C7H15NO6S2 — CID 107564884

IUPAC(2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)CS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H15NO6S2/c1-3-4-6(7(9)10)8-16(13,14)5-15(2,11)12/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyZTVFNCGWCOEJQA-LURJTMIESA-N
MW273.33 g/mol
LogP-0.84
Rot. Bonds7

About (2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid

(2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid (PubChem CID 107564884) has the molecular formula C7H15NO6S2 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid
PubChem CID107564884
Molecular FormulaC7H15NO6S2
Molecular Weight273.33 g/mol
Exact Mass273.03
IUPAC Name(2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)CS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H15NO6S2/c1-3-4-6(7(9)10)8-16(13,14)5-15(2,11)12/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyZTVFNCGWCOEJQA-LURJTMIESA-N
XLogP-0.84
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
benzene;2-(methanesulfonamido)pentanoic acid
CID 68896483
(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid
CID 104934822
2-(dimethylsulfamoylamino)pentanoic acid
CID 43631196
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702
2-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82840375
2-(tert-butylsulfamoylamino)pentanoic acid
CID 114805519
2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 4961765
ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate
CID 82842273
(2R)-2-(methylamino)pentanoic acid
CID 15677248
(2S)-6-amino-2-(dodecylsulfonylamino)hexanoic acid
CID 22878838
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid
CID 107145097

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid?
The IUPAC name of (2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid (CID 107564884) is (2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid is CCC[C@H](NS(=O)(=O)CS(C)(=O)=O)C(=O)O.
What is the InChIKey of (2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid?
The InChIKey is ZTVFNCGWCOEJQA-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO6S2/c1-3-4-6(7(9)10)8-16(13,14)5-15(2,11)12/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid?
(2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid is sourced from PubChem (CID 107564884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).