5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid

C10H21N3O5S — CID 82848425

IUPAC5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C10H21N3O5S/c1-8(4-2-5-9(14)15)13-10(16)12-6-3-7-19(11,17)18/h8H,2-7H2,1H3,(H,14,15)(H2,11,17,18)(H2,12,13,16)
InChIKeyNYTRRNSQVCCSIN-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.39
Rot. Bonds9

About 5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid

5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid (PubChem CID 82848425) has the molecular formula C10H21N3O5S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid
PubChem CID82848425
Molecular FormulaC10H21N3O5S
Molecular Weight295.36 g/mol
Exact Mass295.12
IUPAC Name5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C10H21N3O5S/c1-8(4-2-5-9(14)15)13-10(16)12-6-3-7-19(11,17)18/h8H,2-7H2,1H3,(H,14,15)(H2,11,17,18)(H2,12,13,16)
InChIKeyNYTRRNSQVCCSIN-UHFFFAOYSA-N
XLogP-0.39
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(3-sulfamoylpropylcarbamoylamino)heptanoic acid
CID 65287573
5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 82846283
(2S,3R)-3-hydroxy-2-(3-sulfamoylpropylcarbamoylamino)butanoic acid
CID 104966135
4-(pentan-2-ylcarbamoylamino)butanoic acid
CID 61181859
2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 113441245
5-(5-methoxypentylcarbamoylamino)hexanoic acid
CID 114131677
3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 62965170
5-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 82846572
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
7-(4-methylsulfanylbutan-2-ylcarbamoylamino)heptanoic acid
CID 113477968
5-(2-prop-2-ynylsulfanylethylcarbamoylamino)hexanoic acid
CID 106430987
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165

Frequently Asked Questions

What is the IUPAC name of 5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid?
The IUPAC name of 5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid (CID 82848425) is 5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid?
The InChIKey is NYTRRNSQVCCSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5S/c1-8(4-2-5-9(14)15)13-10(16)12-6-3-7-19(11,17)18/h8H,2-7H2,1H3,(H,14,15)(H2,11,17,18)(H2,12,13,16).
What are the key properties of 5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid?
5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid has a molecular weight of 295.36 g/mol, XLogP of -0.39, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 82848425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).