1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid

C11H21NO5S — CID 55174686

IUPAC1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCCOCCS(=O)(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H21NO5S/c1-2-17-8-9-18(15,16)12-11(10(13)14)6-4-3-5-7-11/h12H,2-9H2,1H3,(H,13,14)
InChIKeySHTSPZFENULGOW-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.73
Rot. Bonds7

About 1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid

1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 55174686) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID55174686
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCCOCCS(=O)(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H21NO5S/c1-2-17-8-9-18(15,16)12-11(10(13)14)6-4-3-5-7-11/h12H,2-9H2,1H3,(H,13,14)
InChIKeySHTSPZFENULGOW-UHFFFAOYSA-N
XLogP0.73
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.73
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

1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506
1-(2-ethoxyethylsulfonylamino)cyclooctane-1-carbothioamide
CID 63245658
1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164087
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920
1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 61358172
1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid
CID 71564982
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82763204
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
CID 115291993
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
1-(2-ethoxyethylsulfonylamino)-4-ethylcyclohexane-1-carbothioamide
CID 63245615

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid (CID 55174686) is 1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid is CCOCCS(=O)(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is SHTSPZFENULGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-2-17-8-9-18(15,16)12-11(10(13)14)6-4-3-5-7-11/h12H,2-9H2,1H3,(H,13,14).
What are the key properties of 1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid?
1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55174686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).