3-(cyclopentylamino)propyl sulfate

C8H16NO4S- — CID 102483462

IUPAC3-(cyclopentylamino)propyl sulfate
SMILESO=S(=O)([O-])OCCCNC1CCCC1
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)/p-1
InChIKeyLDYWTVSYJXDCEF-UHFFFAOYSA-M
MW222.29 g/mol
LogP0.39
Rot. Bonds6

About 3-(cyclopentylamino)propyl sulfate

3-(cyclopentylamino)propyl sulfate (PubChem CID 102483462) has the molecular formula C8H16NO4S- and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(cyclopentylamino)propyl sulfate.

Molecular Properties

Compound Name3-(cyclopentylamino)propyl sulfate
PubChem CID102483462
Molecular FormulaC8H16NO4S-
Molecular Weight222.29 g/mol
Exact Mass222.08
IUPAC Name3-(cyclopentylamino)propyl sulfate
SMILESO=S(=O)([O-])OCCCNC1CCCC1
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)/p-1
InChIKeyLDYWTVSYJXDCEF-UHFFFAOYSA-M
XLogP0.39
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)propyl sulfate?
The IUPAC name of 3-(cyclopentylamino)propyl sulfate (CID 102483462) is 3-(cyclopentylamino)propyl sulfate.
What is the SMILES notation for 3-(cyclopentylamino)propyl sulfate?
The canonical SMILES for 3-(cyclopentylamino)propyl sulfate is O=S(=O)([O-])OCCCNC1CCCC1.
What is the InChIKey of 3-(cyclopentylamino)propyl sulfate?
The InChIKey is LDYWTVSYJXDCEF-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3-(cyclopentylamino)propyl sulfate?
3-(cyclopentylamino)propyl sulfate has a molecular weight of 222.29 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)propyl sulfate is sourced from PubChem (CID 102483462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).