1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid

C8H15NO6S2 — CID 81163920

IUPAC1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)CCS(=O)(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C8H15NO6S2/c1-16(12,13)5-6-17(14,15)9-8(7(10)11)3-2-4-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyNKPRGOMZXDKQHY-UHFFFAOYSA-N
MW285.34 g/mol
LogP-1.04
Rot. Bonds6

About 1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid

1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid (PubChem CID 81163920) has the molecular formula C8H15NO6S2 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
PubChem CID81163920
Molecular FormulaC8H15NO6S2
Molecular Weight285.34 g/mol
Exact Mass285.03
IUPAC Name1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)CCS(=O)(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C8H15NO6S2/c1-16(12,13)5-6-17(14,15)9-8(7(10)11)3-2-4-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyNKPRGOMZXDKQHY-UHFFFAOYSA-N
XLogP-1.04
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 ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic 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

1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164087
1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 82840389
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506
1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid
CID 114992122
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55174686
1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 61358172
4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid
CID 43163311
4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291951
1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid
CID 79673370
4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
CID 115291993

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid (CID 81163920) is 1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid is CS(=O)(=O)CCS(=O)(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid?
The InChIKey is NKPRGOMZXDKQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6S2/c1-16(12,13)5-6-17(14,15)9-8(7(10)11)3-2-4-8/h9H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid?
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).