2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid

C11H21NO6S2 — CID 82838840

IUPAC2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid
SMILESCS(=O)(=O)CS(=O)(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H21NO6S2/c1-19(15,16)9-20(17,18)12-8-11(7-10(13)14)5-3-2-4-6-11/h12H,2-9H2,1H3,(H,13,14)
InChIKeyFVKAURMMIDNYON-UHFFFAOYSA-N
MW327.42 g/mol
LogP0.33
Rot. Bonds7

About 2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid

2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid (PubChem CID 82838840) has the molecular formula C11H21NO6S2 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid
PubChem CID82838840
Molecular FormulaC11H21NO6S2
Molecular Weight327.42 g/mol
Exact Mass327.08
IUPAC Name2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid
SMILESCS(=O)(=O)CS(=O)(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H21NO6S2/c1-19(15,16)9-20(17,18)12-8-11(7-10(13)14)5-3-2-4-6-11/h12H,2-9H2,1H3,(H,13,14)
InChIKeyFVKAURMMIDNYON-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814504
1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 82843118
2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81163633
2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164883
2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814505
2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164653
2-[1-[[(3-ethoxy-3-oxopropyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164998
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
2-[1-[[(2-sulfanylacetyl)amino]methyl]cyclohexyl]acetic acid
CID 90392290

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid (CID 82838840) is 2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid is CS(=O)(=O)CS(=O)(=O)NCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid?
The InChIKey is FVKAURMMIDNYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6S2/c1-19(15,16)9-20(17,18)12-8-11(7-10(13)14)5-3-2-4-6-11/h12H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid?
2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid has a molecular weight of 327.42 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 82838840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).