1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid

C8H15NO6S2 — CID 82843118

IUPAC1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)CS(=O)(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C8H15NO6S2/c1-16(12,13)6-17(14,15)9-5-8(7(10)11)3-2-4-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyUGYARDGFAWIXLX-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.84
Rot. Bonds6

About 1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid

1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 82843118) has the molecular formula C8H15NO6S2 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID82843118
Molecular FormulaC8H15NO6S2
Molecular Weight285.34 g/mol
Exact Mass285.03
IUPAC Name1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)CS(=O)(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C8H15NO6S2/c1-16(12,13)6-17(14,15)9-5-8(7(10)11)3-2-4-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyUGYARDGFAWIXLX-UHFFFAOYSA-N
XLogP-0.84
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309116
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110
1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433192
2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid
CID 82838840
1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445364
1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114806880
1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 114806899
1-[(tert-butylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443536
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
1-[[2-(methanesulfonamido)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311330
1-[[(4-cyanophenyl)methylsulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445386
1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 82840389

Frequently Asked Questions

What is the IUPAC name of 1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid (CID 82843118) is 1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid is CS(=O)(=O)CS(=O)(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is UGYARDGFAWIXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6S2/c1-16(12,13)6-17(14,15)9-5-8(7(10)11)3-2-4-8/h9H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 82843118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).