2-(cyclopropylmethylsulfamoyl)acetic acid

C6H11NO4S — CID 28773531

IUPAC2-(cyclopropylmethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCC1CC1
InChIInChI=1S/C6H11NO4S/c8-6(9)4-12(10,11)7-3-5-1-2-5/h5,7H,1-4H2,(H,8,9)
InChIKeyXWGUWJKJCHPKOR-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.60
Rot. Bonds5

About 2-(cyclopropylmethylsulfamoyl)acetic acid

2-(cyclopropylmethylsulfamoyl)acetic acid (PubChem CID 28773531) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfamoyl)acetic acid
PubChem CID28773531
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name2-(cyclopropylmethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCC1CC1
InChIInChI=1S/C6H11NO4S/c8-6(9)4-12(10,11)7-3-5-1-2-5/h5,7H,1-4H2,(H,8,9)
InChIKeyXWGUWJKJCHPKOR-UHFFFAOYSA-N
XLogP-0.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid
CID 80563346
2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid
CID 61057638
2-(oxolan-2-ylmethylsulfamoyl)acetic acid
CID 43209527
3-(cyclobutylmethylsulfamoyl)propanoic acid
CID 43298604
4-[(benzylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525485
2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid
CID 63994838
2-(1-adamantylmethylsulfamoyl)acetic acid
CID 43173102
3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide
CID 60909819
N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide
CID 106136264
1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide
CID 106127281
N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide
CID 66005889
2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid
CID 114794124

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfamoyl)acetic acid?
The IUPAC name of 2-(cyclopropylmethylsulfamoyl)acetic acid (CID 28773531) is 2-(cyclopropylmethylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(cyclopropylmethylsulfamoyl)acetic acid?
The canonical SMILES for 2-(cyclopropylmethylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylsulfamoyl)acetic acid?
The InChIKey is XWGUWJKJCHPKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c8-6(9)4-12(10,11)7-3-5-1-2-5/h5,7H,1-4H2,(H,8,9).
What are the key properties of 2-(cyclopropylmethylsulfamoyl)acetic acid?
2-(cyclopropylmethylsulfamoyl)acetic acid has a molecular weight of 193.22 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfamoyl)acetic acid is sourced from PubChem (CID 28773531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).