2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid

C7H14N2O4S — CID 114806665

IUPAC2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid
SMILESCNS(=O)(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C7H14N2O4S/c1-8-14(12,13)9-7(3-2-4-7)5-6(10)11/h8-9H,2-5H2,1H3,(H,10,11)
InChIKeyRWVDGMPKVIAXST-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.56
Rot. Bonds5

About 2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid

2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid (PubChem CID 114806665) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid
PubChem CID114806665
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid
SMILESCNS(=O)(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C7H14N2O4S/c1-8-14(12,13)9-7(3-2-4-7)5-6(10)11/h8-9H,2-5H2,1H3,(H,10,11)
InChIKeyRWVDGMPKVIAXST-UHFFFAOYSA-N
XLogP-0.56
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(sulfamoylamino)cyclohexyl]acetic acid
CID 114958917
2-[1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclobutyl]acetic acid
CID 79846527
2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
CID 114462754
2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid
CID 64700173
2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid
CID 79846124
1-(aminomethyl)-N-(methylsulfamoyl)cycloheptan-1-amine
CID 114803362
2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid
CID 79846760
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
CID 64699783
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
CID 64684909
2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844855
2-(1-formamidocyclopentyl)acetic acid
CID 64672964

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid (CID 114806665) is 2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid is CNS(=O)(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid?
The InChIKey is RWVDGMPKVIAXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-8-14(12,13)9-7(3-2-4-7)5-6(10)11/h8-9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid?
2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid has a molecular weight of 222.27 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 114806665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).