1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid

C8H13NO4S — CID 165442304

IUPAC1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid
SMILESCN(C1CC1)S(=O)(=O)C1(C(=O)O)CC1
InChIInChI=1S/C8H13NO4S/c1-9(6-2-3-6)14(12,13)8(4-5-8)7(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKeyVYSWMEWCXSERBI-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.03
Rot. Bonds4

About 1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid

1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid (PubChem CID 165442304) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid
PubChem CID165442304
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid
SMILESCN(C1CC1)S(=O)(=O)C1(C(=O)O)CC1
InChIInChI=1S/C8H13NO4S/c1-9(6-2-3-6)14(12,13)8(4-5-8)7(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKeyVYSWMEWCXSERBI-UHFFFAOYSA-N
XLogP0.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Cyclopropyl(ethyl)sulfamoyl]butanoic acid
CID 43264092
4-[Cyclopropyl(methyl)sulfamoyl]butanoic acid
CID 43264863
4-[Cyclopropyl(propyl)sulfamoyl]butanoic acid
CID 43270295
4-[Cyclopropyl(2-methylpropyl)sulfamoyl]butanoic acid
CID 54876225
4-[Cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid
CID 54999775
4-[Butyl(cyclopropyl)sulfamoyl]butanoic acid
CID 60951287
3-[Tert-butylsulfonyl(ethyl)amino]butanoic acid
CID 63688604
3-[Tert-butylsulfonyl(cyclopropyl)amino]propanoic acid
CID 63689523
2-[Cyclopropyl(cyclopropylmethyl)sulfamoyl]propanoic acid
CID 64489786
4-[Cyclopropyl(cyclopropylmethyl)sulfamoyl]butanoic acid
CID 64490354
2-[Methyl-(1-methylcyclopropyl)sulfonylamino]butanoic acid
CID 132387691
1-[Methyl(propan-2-yl)sulfamoyl]cyclopropane-1-carboxylic acid
CID 165442303

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid (CID 165442304) is 1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid is CN(C1CC1)S(=O)(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VYSWMEWCXSERBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c1-9(6-2-3-6)14(12,13)8(4-5-8)7(10)11/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid?
1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 219.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 165442304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).