7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid

C11H24N2O4S — CID 54947148

IUPAC7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid
SMILESCC(C)N(C)S(=O)(=O)NCCCCCCC(=O)O
InChIInChI=1S/C11H24N2O4S/c1-10(2)13(3)18(16,17)12-9-7-5-4-6-8-11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15)
InChIKeyVCCZWIYRPORHIK-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.20
Rot. Bonds10

About 7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid

7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid (PubChem CID 54947148) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid
PubChem CID54947148
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid
SMILESCC(C)N(C)S(=O)(=O)NCCCCCCC(=O)O
InChIInChI=1S/C11H24N2O4S/c1-10(2)13(3)18(16,17)12-9-7-5-4-6-8-11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15)
InChIKeyVCCZWIYRPORHIK-UHFFFAOYSA-N
XLogP1.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylsulfamoylamino)pentanoic acid
CID 62034311
8-(ethylsulfonylamino)octanoic acid
CID 21103229
1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453557
5-(propylsulfamoylamino)pentanoic acid
CID 114806222
6-(methylsulfonylmethylsulfonylamino)hexanoic acid
CID 82839698
4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
7-(butylsulfonylamino)heptanoic acid
CID 24704780
6-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 62636535
1-[bis(1-hydroxyethyl)amino]ethanol;decanedioic acid
CID 87904285
6-(ethenylsulfonylamino)hexanoic acid
CID 121396494
5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 79594453
11-(octylsulfonylamino)undecanoic acid
CID 4605614

Frequently Asked Questions

What is the IUPAC name of 7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid?
The IUPAC name of 7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid (CID 54947148) is 7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid is CC(C)N(C)S(=O)(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid?
The InChIKey is VCCZWIYRPORHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-10(2)13(3)18(16,17)12-9-7-5-4-6-8-11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid?
7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid has a molecular weight of 280.39 g/mol, XLogP of 1.20, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid is sourced from PubChem (CID 54947148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).