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

C6H13NO4S — CID 28773537

IUPAC2-[methyl(propan-2-yl)sulfamoyl]acetic acid
SMILESCC(C)N(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H13NO4S/c1-5(2)7(3)12(10,11)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyYIROEAFINNETQH-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.26
Rot. Bonds4

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

2-[methyl(propan-2-yl)sulfamoyl]acetic acid (PubChem CID 28773537) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)sulfamoyl]acetic acid
PubChem CID28773537
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-[methyl(propan-2-yl)sulfamoyl]acetic acid
SMILESCC(C)N(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H13NO4S/c1-5(2)7(3)12(10,11)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyYIROEAFINNETQH-UHFFFAOYSA-N
XLogP-0.26
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylsulfamoyl)propanoic acid
CID 28773888
2-(Dimethylsulfamoyl)acetic acid
CID 21533281
2-(Diethylsulfamoyl)acetic acid
CID 28773414
2-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950539
2-[Di(butan-2-yl)sulfamoyl]acetic acid
CID 18988670
2-[Tert-butyl(methyl)sulfamoyl]acetic acid
CID 21709122
2-(Propan-2-ylsulfamoyl)acetic acid
CID 28773426
2-[Methyl(propylsulfonyl)amino]propanoic acid
CID 59950846
2-[Ethylsulfonyl(methyl)amino]propanoic acid
CID 59950860
2-(Dimethylsulfamoyl)propanoic acid
CID 61454534
2-[Methyl(propan-2-ylsulfonyl)amino]propanoic acid
CID 62637730
2-[Methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid
CID 79850757

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[methyl(propan-2-yl)sulfamoyl]acetic acid (CID 28773537) is 2-[methyl(propan-2-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[methyl(propan-2-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[methyl(propan-2-yl)sulfamoyl]acetic acid is CC(C)N(C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[methyl(propan-2-yl)sulfamoyl]acetic acid?
The InChIKey is YIROEAFINNETQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-5(2)7(3)12(10,11)4-6(8)9/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of 2-[methyl(propan-2-yl)sulfamoyl]acetic acid?
2-[methyl(propan-2-yl)sulfamoyl]acetic acid has a molecular weight of 195.24 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 28773537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).