4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid

C9H17NO6S — CID 115291993

IUPAC4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
SMILESCOCCS(=O)(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C9H17NO6S/c1-15-6-7-17(13,14)10-9(8(11)12)2-4-16-5-3-9/h10H,2-7H2,1H3,(H,11,12)
InChIKeyRFJKDWJKKSBKAV-UHFFFAOYSA-N
MW267.30 g/mol
LogP-0.81
Rot. Bonds6

About 4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid

4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid (PubChem CID 115291993) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
PubChem CID115291993
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
SMILESCOCCS(=O)(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C9H17NO6S/c1-15-6-7-17(13,14)10-9(8(11)12)2-4-16-5-3-9/h10H,2-7H2,1H3,(H,11,12)
InChIKeyRFJKDWJKKSBKAV-UHFFFAOYSA-N
XLogP-0.81
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164087
4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291951
4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291944
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506
1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55174686
2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid
CID 79846124
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 62520965
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920
4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid
CID 115292421
N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide
CID 114170087
4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid
CID 114991085

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid (CID 115291993) is 4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid is COCCS(=O)(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid?
The InChIKey is RFJKDWJKKSBKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-15-6-7-17(13,14)10-9(8(11)12)2-4-16-5-3-9/h10H,2-7H2,1H3,(H,11,12).
What are the key properties of 4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid?
4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of -0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 115291993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).