3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid

C10H20N2O4S — CID 63258358

IUPAC3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
SMILESNC1CCCCCC1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H20N2O4S/c11-8-4-2-1-3-5-9(8)12-17(15,16)7-6-10(13)14/h8-9,12H,1-7,11H2,(H,13,14)
InChIKeyLSENWINDNAQXLM-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.04
Rot. Bonds5

About 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid

3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid (PubChem CID 63258358) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
PubChem CID63258358
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
SMILESNC1CCCCCC1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H20N2O4S/c11-8-4-2-1-3-5-9(8)12-17(15,16)7-6-10(13)14/h8-9,12H,1-7,11H2,(H,13,14)
InChIKeyLSENWINDNAQXLM-UHFFFAOYSA-N
XLogP0.04
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
CID 93452968
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980
N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide
CID 63258881
N-(2-aminocyclohexyl)-1-cycloheptylmethanesulfonamide
CID 59537369
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid
CID 107216293
4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 43711222
N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059853
N-(2-aminocyclopentyl)-3-methylbutane-1-sulfonamide
CID 63857525
bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid
CID 54754171
3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
CID 64929072
3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid
CID 43317819
N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
CID 87792256

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid (CID 63258358) is 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid is NC1CCCCCC1NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid?
The InChIKey is LSENWINDNAQXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c11-8-4-2-1-3-5-9(8)12-17(15,16)7-6-10(13)14/h8-9,12H,1-7,11H2,(H,13,14).
What are the key properties of 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid?
3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 63258358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).