3-(cyclopentylamino)propyl hydrogen sulfate

C8H17NO4S — CID 44521147

IUPAC3-(cyclopentylamino)propyl hydrogen 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)
InChIKeyLDYWTVSYJXDCEF-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.73
Rot. Bonds6

About 3-(cyclopentylamino)propyl hydrogen sulfate

3-(cyclopentylamino)propyl hydrogen sulfate (PubChem CID 44521147) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(cyclopentylamino)propyl hydrogen sulfate.

Molecular Properties

Compound Name3-(cyclopentylamino)propyl hydrogen sulfate
PubChem CID44521147
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name3-(cyclopentylamino)propyl hydrogen 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)
InChIKeyLDYWTVSYJXDCEF-UHFFFAOYSA-N
XLogP0.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)propyl hydrogen sulfate?
The IUPAC name of 3-(cyclopentylamino)propyl hydrogen sulfate (CID 44521147) is 3-(cyclopentylamino)propyl hydrogen sulfate.
What is the SMILES notation for 3-(cyclopentylamino)propyl hydrogen sulfate?
The canonical SMILES for 3-(cyclopentylamino)propyl hydrogen sulfate is O=S(=O)(O)OCCCNC1CCCC1.
What is the InChIKey of 3-(cyclopentylamino)propyl hydrogen 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-(cyclopentylamino)propyl hydrogen sulfate?
3-(cyclopentylamino)propyl hydrogen sulfate has a molecular weight of 223.29 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)propyl hydrogen sulfate is sourced from PubChem (CID 44521147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).