[(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride

C6H15ClN2O4S — CID 11482003

IUPAC[(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride
SMILESNS(=O)(=O)CCCC[C@H]([NH3+])C(=O)O.[Cl-]
InChIInChI=1S/C6H14N2O4S.ClH/c7-5(6(9)10)3-1-2-4-13(8,11)12;/h5H,1-4,7H2,(H,9,10)(H2,8,11,12);1H/t5-;/m0./s1
InChIKeyCQCWTVGOMSWJKD-JEDNCBNOSA-N
MW246.72 g/mol
LogP-4.86
Rot. Bonds6

About [(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride

[(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride (PubChem CID 11482003) has the molecular formula C6H15ClN2O4S and a molecular weight of 246.72 g/mol. Its IUPAC name is [(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride.

Molecular Properties

Compound Name[(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride
PubChem CID11482003
Molecular FormulaC6H15ClN2O4S
Molecular Weight246.72 g/mol
Exact Mass246.04
IUPAC Name[(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride
SMILESNS(=O)(=O)CCCC[C@H]([NH3+])C(=O)O.[Cl-]
InChIInChI=1S/C6H14N2O4S.ClH/c7-5(6(9)10)3-1-2-4-13(8,11)12;/h5H,1-4,7H2,(H,9,10)(H2,8,11,12);1H/t5-;/m0./s1
InChIKeyCQCWTVGOMSWJKD-JEDNCBNOSA-N
XLogP-4.86
TPSA125.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 5-4.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecane-1,12-disulfonamide
CID 57288842
(5-azaniumyl-5-carboxypentyl)-(hydroxymethyl)azanium
CID 23278782
propane-1,3-disulfonamide
CID 22153832
4-hydroxybutane-1-sulfonamide
CID 21436386
[(1R)-1-carboxy-4-[(N'-methylcarbamimidoyl)amino]butyl]azanium
CID 138397877
[(1S)-3-bromo-1-carboxypropyl]azanium
CID 50936920
[(1S)-1,3-dicarboxypropyl]azanium
CID 5147171
2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 113441245
(1-carboxy-3-methylsulfanylpropyl)azanium;iron;sulfuric acid
CID 170847245
[(4S)-4-azaniumyl-4-carboxybutyl]-(diaminomethylidene)azanium dinitrate
CID 139064900
(2S,3R)-3-hydroxy-2-(3-sulfamoylpropylcarbamoylamino)butanoic acid
CID 104966135
4-chlorobutane-1-sulfonamide
CID 18461

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride?
The IUPAC name of [(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride (CID 11482003) is [(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride.
What is the SMILES notation for [(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride?
The canonical SMILES for [(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride is NS(=O)(=O)CCCC[C@H]([NH3+])C(=O)O.[Cl-].
What is the InChIKey of [(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride?
The InChIKey is CQCWTVGOMSWJKD-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O4S.ClH/c7-5(6(9)10)3-1-2-4-13(8,11)12;/h5H,1-4,7H2,(H,9,10)(H2,8,11,12);1H/t5-;/m0./s1.
What are the key properties of [(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride?
[(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride has a molecular weight of 246.72 g/mol, XLogP of -4.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-carboxy-5-sulfamoylpentyl]azanium chloride is sourced from PubChem (CID 11482003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).