7-(2-methoxyethylsulfonylamino)heptanoic acid

C10H21NO5S — CID 55010122

IUPAC7-(2-methoxyethylsulfonylamino)heptanoic acid
SMILESCOCCS(=O)(=O)NCCCCCCC(=O)O
InChIInChI=1S/C10H21NO5S/c1-16-8-9-17(14,15)11-7-5-3-2-4-6-10(12)13/h11H,2-9H2,1H3,(H,12,13)
InChIKeyKNMMMAORKJUFKI-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.59
Rot. Bonds11

About 7-(2-methoxyethylsulfonylamino)heptanoic acid

7-(2-methoxyethylsulfonylamino)heptanoic acid (PubChem CID 55010122) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is 7-(2-methoxyethylsulfonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(2-methoxyethylsulfonylamino)heptanoic acid
PubChem CID55010122
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Name7-(2-methoxyethylsulfonylamino)heptanoic acid
SMILESCOCCS(=O)(=O)NCCCCCCC(=O)O
InChIInChI=1S/C10H21NO5S/c1-16-8-9-17(14,15)11-7-5-3-2-4-6-10(12)13/h11H,2-9H2,1H3,(H,12,13)
InChIKeyKNMMMAORKJUFKI-UHFFFAOYSA-N
XLogP0.59
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxypropylsulfamoyl)butanoic acid
CID 28513471
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 79594453
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
7-(butylsulfonylamino)heptanoic acid
CID 24704780
8-(ethylsulfonylamino)octanoic acid
CID 21103229
11-(octylsulfonylamino)undecanoic acid
CID 4605614
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
6-(methylsulfonylmethylsulfonylamino)hexanoic acid
CID 82839698
N-[3-(2-methoxyethylsulfonylamino)propyl]acetamide
CID 110309562
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethylsulfonylamino)heptanoic acid?
The IUPAC name of 7-(2-methoxyethylsulfonylamino)heptanoic acid (CID 55010122) is 7-(2-methoxyethylsulfonylamino)heptanoic acid.
What is the SMILES notation for 7-(2-methoxyethylsulfonylamino)heptanoic acid?
The canonical SMILES for 7-(2-methoxyethylsulfonylamino)heptanoic acid is COCCS(=O)(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-(2-methoxyethylsulfonylamino)heptanoic acid?
The InChIKey is KNMMMAORKJUFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-16-8-9-17(14,15)11-7-5-3-2-4-6-10(12)13/h11H,2-9H2,1H3,(H,12,13).
What are the key properties of 7-(2-methoxyethylsulfonylamino)heptanoic acid?
7-(2-methoxyethylsulfonylamino)heptanoic acid has a molecular weight of 267.35 g/mol, XLogP of 0.59, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethylsulfonylamino)heptanoic acid is sourced from PubChem (CID 55010122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).