2-[ethyl(propan-2-yl)sulfamoyl]acetic acid

C7H15NO4S — CID 43265650

IUPAC2-[ethyl(propan-2-yl)sulfamoyl]acetic acid
SMILESCCN(C(C)C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H15NO4S/c1-4-8(6(2)3)13(11,12)5-7(9)10/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeySXQWWGGNPOZLMK-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.13
Rot. Bonds5

About 2-[ethyl(propan-2-yl)sulfamoyl]acetic acid

2-[ethyl(propan-2-yl)sulfamoyl]acetic acid (PubChem CID 43265650) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)sulfamoyl]acetic acid
PubChem CID43265650
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-[ethyl(propan-2-yl)sulfamoyl]acetic acid
SMILESCCN(C(C)C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H15NO4S/c1-4-8(6(2)3)13(11,12)5-7(9)10/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeySXQWWGGNPOZLMK-UHFFFAOYSA-N
XLogP0.13
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(3-methylbutyl)sulfamoyl]acetic acid
CID 60950660
3-[dimethylsulfamoyl(ethyl)amino]butanoic acid
CID 62826176
N-ethyl-N-propan-2-ylsulfamoyl chloride
CID 43265685
2-[(2R)-butan-2-yl]sulfonylacetic acid
CID 28744627
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)sulfamoyl]acetic acid
CID 60952335
N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine
CID 164554404
2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid
CID 122072137
N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136116
2-[difluoromethylsulfonyl(propan-2-yl)amino]acetic acid
CID 60828476
3-[ethyl(propan-2-yl)amino]butanoic acid
CID 43537443
2-[heptyl(3-hydroxypropyl)sulfamoyl]acetic acid
CID 55028849
2-(bromo-ethyl-methyl-λ4-sulfanyl)acetic acid
CID 162394527

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[ethyl(propan-2-yl)sulfamoyl]acetic acid (CID 43265650) is 2-[ethyl(propan-2-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[ethyl(propan-2-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[ethyl(propan-2-yl)sulfamoyl]acetic acid is CCN(C(C)C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[ethyl(propan-2-yl)sulfamoyl]acetic acid?
The InChIKey is SXQWWGGNPOZLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-4-8(6(2)3)13(11,12)5-7(9)10/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-[ethyl(propan-2-yl)sulfamoyl]acetic acid?
2-[ethyl(propan-2-yl)sulfamoyl]acetic acid has a molecular weight of 209.27 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-[ethyl(propan-2-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 43265650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).