1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid

C7H13NO4S — CID 170526983

IUPAC1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid
SMILESCC(C)NS(=O)(=O)C1(C(=O)O)CC1
InChIInChI=1S/C7H13NO4S/c1-5(2)8-13(11,12)7(3-4-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyHDXKUEGXJXTZHJ-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.07
Rot. Bonds4

About 1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid

1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid (PubChem CID 170526983) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid
PubChem CID170526983
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid
SMILESCC(C)NS(=O)(=O)C1(C(=O)O)CC1
InChIInChI=1S/C7H13NO4S/c1-5(2)8-13(11,12)7(3-4-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyHDXKUEGXJXTZHJ-UHFFFAOYSA-N
XLogP-0.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-Cyclopropanesulfonamido-3-methylbutanoic acid
CID 79011296
N-ethylsulfonyl-L-valine
CID 11356256
2-[(Ethylsulfonyl)amino]-3-methylbutanoic acid
CID 16228609
2-(Ethylsulfonylamino)butanoic acid
CID 24262890
2-(Propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid
CID 57981847
2-Methyl-2-(propylsulfamoyl)propanoic acid
CID 59634202
2-Isopropylsulfamoyl-2-methyl-propionic acid
CID 59634236
2-(Cyclopropylsulfamoyl)-2-methylpropanoic acid
CID 59634315
2-(Ethylsulfamoyl)-2-methylpropanoic acid
CID 59634349
2-(Propan-2-ylsulfonylamino)butanoic acid
CID 60859937
2-(Propan-2-ylsulfamoyl)propanoic acid
CID 61454214
2-(Tert-butylsulfonylamino)butanoic acid
CID 63688407

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid (CID 170526983) is 1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid is CC(C)NS(=O)(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is HDXKUEGXJXTZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-5(2)8-13(11,12)7(3-4-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid?
1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 170526983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).