5-(dimethylsulfamoylamino)pentanoic acid

C7H16N2O4S — CID 62034311

IUPAC5-(dimethylsulfamoylamino)pentanoic acid
SMILESCN(C)S(=O)(=O)NCCCCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-9(2)14(12,13)8-6-4-3-5-7(10)11/h8H,3-6H2,1-2H3,(H,10,11)
InChIKeyQKMWRRDSZBAHSN-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.36
Rot. Bonds7

About 5-(dimethylsulfamoylamino)pentanoic acid

5-(dimethylsulfamoylamino)pentanoic acid (PubChem CID 62034311) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-(dimethylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-(dimethylsulfamoylamino)pentanoic acid
PubChem CID62034311
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name5-(dimethylsulfamoylamino)pentanoic acid
SMILESCN(C)S(=O)(=O)NCCCCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-9(2)14(12,13)8-6-4-3-5-7(10)11/h8H,3-6H2,1-2H3,(H,10,11)
InChIKeyQKMWRRDSZBAHSN-UHFFFAOYSA-N
XLogP-0.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.36
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

7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid
CID 54947148
8-(ethylsulfonylamino)octanoic acid
CID 21103229
4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
5-(propylsulfamoylamino)pentanoic acid
CID 114806222
1-amino-6-(dimethylsulfamoylamino)hexane
CID 107844568
6-(methylsulfonylmethylsulfonylamino)hexanoic acid
CID 82839698
1-(dimethylsulfamoylamino)-2-hydroxyethane
CID 3657512
1-cyano-4-(dimethylsulfamoylamino)butane
CID 63297084
7-(butylsulfonylamino)heptanoic acid
CID 24704780
5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid
CID 161088986
11-(octylsulfonylamino)undecanoic acid
CID 4605614
6-(ethenylsulfonylamino)hexanoic acid
CID 121396494

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoylamino)pentanoic acid?
The IUPAC name of 5-(dimethylsulfamoylamino)pentanoic acid (CID 62034311) is 5-(dimethylsulfamoylamino)pentanoic acid.
What is the SMILES notation for 5-(dimethylsulfamoylamino)pentanoic acid?
The canonical SMILES for 5-(dimethylsulfamoylamino)pentanoic acid is CN(C)S(=O)(=O)NCCCCC(=O)O.
What is the InChIKey of 5-(dimethylsulfamoylamino)pentanoic acid?
The InChIKey is QKMWRRDSZBAHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-9(2)14(12,13)8-6-4-3-5-7(10)11/h8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 5-(dimethylsulfamoylamino)pentanoic acid?
5-(dimethylsulfamoylamino)pentanoic acid has a molecular weight of 224.28 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 62034311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).