3-(cyclopentylazaniumyl)propyl sulfate

C8H17NO4S — CID 135080532

IUPAC3-(cyclopentylazaniumyl)propyl sulfate
SMILESO=S(=O)([O-])OCCC[NH2+]C1CCCC1
InChIInChI=1S/C8H17NO4S/c10-14(11,12)13-7-3-6-9-8-4-1-2-5-8/h8-9H,1-7H2,(H,10,11,12)
InChIKeyLDYWTVSYJXDCEF-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.64
Rot. Bonds6

About 3-(cyclopentylazaniumyl)propyl sulfate

3-(cyclopentylazaniumyl)propyl sulfate (PubChem CID 135080532) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(cyclopentylazaniumyl)propyl sulfate.

Molecular Properties

Compound Name3-(cyclopentylazaniumyl)propyl sulfate
PubChem CID135080532
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name3-(cyclopentylazaniumyl)propyl sulfate
SMILESO=S(=O)([O-])OCCC[NH2+]C1CCCC1
InChIInChI=1S/C8H17NO4S/c10-14(11,12)13-7-3-6-9-8-4-1-2-5-8/h8-9H,1-7H2,(H,10,11,12)
InChIKeyLDYWTVSYJXDCEF-UHFFFAOYSA-N
XLogP-0.64
TPSA83.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

3-(Cyclohexylazaniumyl)propyl sulfate
CID 135080203
3-(Hexylazaniumyl)propyl sulfate
CID 135080357
3-(Cyclohexylamino)propyl hydrogen sulfate
CID 19097098
3-(Hexylamino)propyl methyl sulfate
CID 174477497
3-(Pentan-2-ylamino)propyl sulfite
CID 174541475
3-(Cyclopentylamino)propyl sulfite
CID 174785132
3-(Cyclopentylamino)propyl hydrogen sulfate
CID 44521147
3-(Hexylamino)propyl sulfate
CID 102483454
3-(Cyclopentylamino)propyl sulfate
CID 102483462
3-(Cyclohexylamino)propyl sulfate
CID 102483463
3-(Cyclopentylamino)propyl hydrogen sulfite
CID 174785133

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylazaniumyl)propyl sulfate?
The IUPAC name of 3-(cyclopentylazaniumyl)propyl sulfate (CID 135080532) is 3-(cyclopentylazaniumyl)propyl sulfate.
What is the SMILES notation for 3-(cyclopentylazaniumyl)propyl sulfate?
The canonical SMILES for 3-(cyclopentylazaniumyl)propyl sulfate is O=S(=O)([O-])OCCC[NH2+]C1CCCC1.
What is the InChIKey of 3-(cyclopentylazaniumyl)propyl sulfate?
The InChIKey is LDYWTVSYJXDCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c10-14(11,12)13-7-3-6-9-8-4-1-2-5-8/h8-9H,1-7H2,(H,10,11,12).
What are the key properties of 3-(cyclopentylazaniumyl)propyl sulfate?
3-(cyclopentylazaniumyl)propyl sulfate has a molecular weight of 223.29 g/mol, XLogP of -0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylazaniumyl)propyl sulfate is sourced from PubChem (CID 135080532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).