2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid

C11H21NO6S2 — CID 63245001

IUPAC2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid
SMILESCS(=O)(=O)CCS(=O)(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H21NO6S2/c1-19(15,16)7-8-20(17,18)12-10(11(13)14)9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyJXKNZZMQPAUTIJ-UHFFFAOYSA-N
MW327.42 g/mol
LogP-0.02
Rot. Bonds7

About 2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid

2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid (PubChem CID 63245001) has the molecular formula C11H21NO6S2 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid
PubChem CID63245001
Molecular FormulaC11H21NO6S2
Molecular Weight327.42 g/mol
Exact Mass327.08
IUPAC Name2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid
SMILESCS(=O)(=O)CCS(=O)(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H21NO6S2/c1-19(15,16)7-8-20(17,18)12-10(11(13)14)9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyJXKNZZMQPAUTIJ-UHFFFAOYSA-N
XLogP-0.02
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61358761
2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide
CID 76988697
2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid
CID 64987369
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid
CID 104936044
2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid
CID 63688223
2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid
CID 54901825
2-cyclohexyl-2-(propylsulfamoylamino)acetic acid
CID 114805745
2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid
CID 62697454
(2S)-2-cyclohexyl-3-methylsulfonylpropanoic acid
CID 99990825
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
2-cyclopentyl-5-methylsulfonylpentanoic acid
CID 112569238

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid (CID 63245001) is 2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid is CS(=O)(=O)CCS(=O)(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid?
The InChIKey is JXKNZZMQPAUTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6S2/c1-19(15,16)7-8-20(17,18)12-10(11(13)14)9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid?
2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid has a molecular weight of 327.42 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid is sourced from PubChem (CID 63245001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).