3-(cyclopentylamino)propyl sulfite

C8H16NO3S- — CID 174785132

IUPAC3-(cyclopentylamino)propyl 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)/p-1
InChIKeyYDSQCDZTTCREIF-UHFFFAOYSA-M
MW206.29 g/mol
LogP0.72
Rot. Bonds6

About 3-(cyclopentylamino)propyl sulfite

3-(cyclopentylamino)propyl sulfite (PubChem CID 174785132) has the molecular formula C8H16NO3S- and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(cyclopentylamino)propyl sulfite.

Molecular Properties

Compound Name3-(cyclopentylamino)propyl sulfite
PubChem CID174785132
Molecular FormulaC8H16NO3S-
Molecular Weight206.29 g/mol
Exact Mass206.09
IUPAC Name3-(cyclopentylamino)propyl 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)/p-1
InChIKeyYDSQCDZTTCREIF-UHFFFAOYSA-M
XLogP0.72
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 sulfite?
The IUPAC name of 3-(cyclopentylamino)propyl sulfite (CID 174785132) is 3-(cyclopentylamino)propyl sulfite.
What is the SMILES notation for 3-(cyclopentylamino)propyl sulfite?
The canonical SMILES for 3-(cyclopentylamino)propyl sulfite is O=S([O-])OCCCNC1CCCC1.
What is the InChIKey of 3-(cyclopentylamino)propyl sulfite?
The InChIKey is YDSQCDZTTCREIF-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3-(cyclopentylamino)propyl sulfite?
3-(cyclopentylamino)propyl sulfite has a molecular weight of 206.29 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)propyl sulfite is sourced from PubChem (CID 174785132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).