2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid

C8H15NO4S — CID 43569098

IUPAC2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid
SMILESCC(C1CC1)N(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H15NO4S/c1-6(7-3-4-7)9(2)14(12,13)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyXRYZIYQYJGGTGD-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.13
Rot. Bonds5

About 2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid

2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid (PubChem CID 43569098) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid
PubChem CID43569098
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid
SMILESCC(C1CC1)N(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H15NO4S/c1-6(7-3-4-7)9(2)14(12,13)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyXRYZIYQYJGGTGD-UHFFFAOYSA-N
XLogP0.13
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60950822
2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950823
2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61457876
2-[Cyclopropyl(ethyl)sulfamoyl]acetic acid
CID 43264083
2-[Cyclopropyl(methyl)sulfamoyl]acetic acid
CID 43264853
2-[Cyclopropyl(propyl)sulfamoyl]acetic acid
CID 43270267
2-[Methyl(2-methylbutyl)sulfamoyl]acetic acid
CID 43295728
2-(1-Cyclopropylethylsulfamoyl)acetic acid
CID 43533414
4-[1-Cyclopropylethyl(methyl)sulfamoyl]butanoic acid
CID 43569102
3-[1-Cyclopropylethyl(methyl)sulfamoyl]propanoic acid
CID 43569103
2-[Methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid
CID 43570045
3-[Methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid
CID 43570050

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid (CID 43569098) is 2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid is CC(C1CC1)N(C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid?
The InChIKey is XRYZIYQYJGGTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-6(7-3-4-7)9(2)14(12,13)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid?
2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid has a molecular weight of 221.28 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)sulfamoyl]acetic acid is sourced from PubChem (CID 43569098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).