(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid

C9H17NO6S — CID 107145097

IUPAC(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid
SMILESCCCC[C@H](NS(=O)(=O)CC(=O)OC)C(=O)O
InChIInChI=1S/C9H17NO6S/c1-3-4-5-7(9(12)13)10-17(14,15)6-8(11)16-2/h7,10H,3-6H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyJYCWRYITYQMONY-ZETCQYMHSA-N
MW267.30 g/mol
LogP-0.28
Rot. Bonds8

About (2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid

(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid (PubChem CID 107145097) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is (2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid
PubChem CID107145097
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid
SMILESCCCC[C@H](NS(=O)(=O)CC(=O)OC)C(=O)O
InChIInChI=1S/C9H17NO6S/c1-3-4-5-7(9(12)13)10-17(14,15)6-8(11)16-2/h7,10H,3-6H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyJYCWRYITYQMONY-ZETCQYMHSA-N
XLogP-0.28
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
(2S)-2-(3,3,3-trifluoropropylsulfonylamino)hexanoic acid
CID 122070574
2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 103231211
5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid
CID 61456673
(2S)-6-amino-2-(dodecylsulfonylamino)hexanoic acid
CID 22878838
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-phenylpropanoic acid
CID 61359341
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid
CID 61359142
2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid
CID 103240369
2-(methoxyamino)hexanoic acid
CID 103254320
2-[(4-methoxy-4-oxobutyl)sulfonylamino]butanoic acid
CID 54952165
2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid
CID 65222422

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid?
The IUPAC name of (2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid (CID 107145097) is (2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid is CCCC[C@H](NS(=O)(=O)CC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid?
The InChIKey is JYCWRYITYQMONY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-3-4-5-7(9(12)13)10-17(14,15)6-8(11)16-2/h7,10H,3-6H2,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid?
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid has a molecular weight of 267.30 g/mol, XLogP of -0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 107145097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).