3-(cyclopentylamino)propyl hydrogen sulfite

C8H17NO3S — CID 174785133

IUPAC3-(cyclopentylamino)propyl hydrogen sulfite
SMILESO=S(O)OCCCNC1CCCC1
InChIInChI=1S/C8H17NO3S/c10-13(11)12-7-3-6-9-8-4-1-2-5-8/h8-9H,1-7H2,(H,10,11)
InChIKeyYDSQCDZTTCREIF-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.06
Rot. Bonds6

About 3-(cyclopentylamino)propyl hydrogen sulfite

3-(cyclopentylamino)propyl hydrogen sulfite (PubChem CID 174785133) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-(cyclopentylamino)propyl hydrogen sulfite.

Molecular Properties

Compound Name3-(cyclopentylamino)propyl hydrogen sulfite
PubChem CID174785133
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-(cyclopentylamino)propyl hydrogen sulfite
SMILESO=S(O)OCCCNC1CCCC1
InChIInChI=1S/C8H17NO3S/c10-13(11)12-7-3-6-9-8-4-1-2-5-8/h8-9H,1-7H2,(H,10,11)
InChIKeyYDSQCDZTTCREIF-UHFFFAOYSA-N
XLogP1.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)propyl hydrogen sulfite?
The IUPAC name of 3-(cyclopentylamino)propyl hydrogen sulfite (CID 174785133) is 3-(cyclopentylamino)propyl hydrogen sulfite.
What is the SMILES notation for 3-(cyclopentylamino)propyl hydrogen sulfite?
The canonical SMILES for 3-(cyclopentylamino)propyl hydrogen sulfite is O=S(O)OCCCNC1CCCC1.
What is the InChIKey of 3-(cyclopentylamino)propyl hydrogen sulfite?
The InChIKey is YDSQCDZTTCREIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c10-13(11)12-7-3-6-9-8-4-1-2-5-8/h8-9H,1-7H2,(H,10,11).
What are the key properties of 3-(cyclopentylamino)propyl hydrogen sulfite?
3-(cyclopentylamino)propyl hydrogen sulfite has a molecular weight of 207.29 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)propyl hydrogen sulfite is sourced from PubChem (CID 174785133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).