2-(1-aminopentan-2-ylsulfamoyl)acetic acid

C7H16N2O4S — CID 65193173

IUPAC2-(1-aminopentan-2-ylsulfamoyl)acetic acid
SMILESCCCC(CN)NS(=O)(=O)CC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-2-3-6(4-8)9-14(12,13)5-7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)
InChIKeyLOSNKEXSZQRYCB-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.88
Rot. Bonds7

About 2-(1-aminopentan-2-ylsulfamoyl)acetic acid

2-(1-aminopentan-2-ylsulfamoyl)acetic acid (PubChem CID 65193173) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(1-aminopentan-2-ylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(1-aminopentan-2-ylsulfamoyl)acetic acid
PubChem CID65193173
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name2-(1-aminopentan-2-ylsulfamoyl)acetic acid
SMILESCCCC(CN)NS(=O)(=O)CC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-2-3-6(4-8)9-14(12,13)5-7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)
InChIKeyLOSNKEXSZQRYCB-UHFFFAOYSA-N
XLogP-0.88
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminohexan-2-ylsulfamoyl)acetic acid
CID 80698128
N-(1-aminopentan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834752
methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate
CID 65192511
2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid
CID 63994838
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
N-(1-aminopentan-2-yl)-2,2-difluoroacetamide
CID 103514193
2-(2-methylpentan-3-ylsulfamoyl)acetic acid
CID 61469735
N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 80696971
N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 61133210
N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119993074
1-amino-2-(sulfamoylamino)hexane
CID 114959420
ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate
CID 65192667

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentan-2-ylsulfamoyl)acetic acid?
The IUPAC name of 2-(1-aminopentan-2-ylsulfamoyl)acetic acid (CID 65193173) is 2-(1-aminopentan-2-ylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(1-aminopentan-2-ylsulfamoyl)acetic acid?
The canonical SMILES for 2-(1-aminopentan-2-ylsulfamoyl)acetic acid is CCCC(CN)NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(1-aminopentan-2-ylsulfamoyl)acetic acid?
The InChIKey is LOSNKEXSZQRYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-2-3-6(4-8)9-14(12,13)5-7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11).
What are the key properties of 2-(1-aminopentan-2-ylsulfamoyl)acetic acid?
2-(1-aminopentan-2-ylsulfamoyl)acetic acid has a molecular weight of 224.28 g/mol, XLogP of -0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentan-2-ylsulfamoyl)acetic acid is sourced from PubChem (CID 65193173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).