1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid

C6H11NO6S2 — CID 82840389

IUPAC1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)CS(=O)(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C6H11NO6S2/c1-14(10,11)4-15(12,13)7-6(2-3-6)5(8)9/h7H,2-4H2,1H3,(H,8,9)
InChIKeyBFIOAFLDUORLDW-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.47
Rot. Bonds5

About 1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid

1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid (PubChem CID 82840389) has the molecular formula C6H11NO6S2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid
PubChem CID82840389
Molecular FormulaC6H11NO6S2
Molecular Weight257.29 g/mol
Exact Mass257.00
IUPAC Name1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)CS(=O)(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C6H11NO6S2/c1-14(10,11)4-15(12,13)7-6(2-3-6)5(8)9/h7H,2-4H2,1H3,(H,8,9)
InChIKeyBFIOAFLDUORLDW-UHFFFAOYSA-N
XLogP-1.47
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide
CID 82842928
1-(methylsulfonylmethylsulfonylamino)cyclooctane-1-carbothioamide
CID 82842037
1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 61358172
1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 82843118
1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164087
4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid
CID 43163311
1-(cyclopropylmethylsulfonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 64987307
1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid
CID 114806428
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid (CID 82840389) is 1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid is CS(=O)(=O)CS(=O)(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid?
The InChIKey is BFIOAFLDUORLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO6S2/c1-14(10,11)4-15(12,13)7-6(2-3-6)5(8)9/h7H,2-4H2,1H3,(H,8,9).
What are the key properties of 1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid?
1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82840389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).