5-aminopentyl sulfite

C5H12NO3S- — CID 57200749

IUPAC5-aminopentyl sulfite
SMILESNCCCCCOS(=O)[O-]
InChIInChI=1S/C5H13NO3S/c6-4-2-1-3-5-9-10(7)8/h1-6H2,(H,7,8)/p-1
InChIKeyQSEFQSSHDCEOEP-UHFFFAOYSA-M
MW166.22 g/mol
LogP-0.07
Rot. Bonds6

About 5-aminopentyl sulfite

5-aminopentyl sulfite (PubChem CID 57200749) has the molecular formula C5H12NO3S- and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-aminopentyl sulfite.

Molecular Properties

Compound Name5-aminopentyl sulfite
PubChem CID57200749
Molecular FormulaC5H12NO3S-
Molecular Weight166.22 g/mol
Exact Mass166.05
IUPAC Name5-aminopentyl sulfite
SMILESNCCCCCOS(=O)[O-]
InChIInChI=1S/C5H13NO3S/c6-4-2-1-3-5-9-10(7)8/h1-6H2,(H,7,8)/p-1
InChIKeyQSEFQSSHDCEOEP-UHFFFAOYSA-M
XLogP-0.07
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.07
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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Related Compounds

methane;octyl sulfite
CID 159287523
potassium 3-fluoropropyl sulfite
CID 174672463
4-dimethylsilylbutyl sulfite
CID 123590265
potassium;hydride;octyl sulfite
CID 174439661
lithium;dodecyl sulfite;hydride
CID 174417370
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
sodium;acetonitrile;heptyl sulfite;hydride
CID 174796778
sodium;hex-5-enyl sulfite;hydride
CID 174851694
3-(methylamino)propyl sulfite
CID 57067037
3-methoxycarbonyloxypropyl sulfite
CID 118684463
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
6-aminohexyl carbonate
CID 59921398

Frequently Asked Questions

What is the IUPAC name of 5-aminopentyl sulfite?
The IUPAC name of 5-aminopentyl sulfite (CID 57200749) is 5-aminopentyl sulfite.
What is the SMILES notation for 5-aminopentyl sulfite?
The canonical SMILES for 5-aminopentyl sulfite is NCCCCCOS(=O)[O-].
What is the InChIKey of 5-aminopentyl sulfite?
The InChIKey is QSEFQSSHDCEOEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO3S/c6-4-2-1-3-5-9-10(7)8/h1-6H2,(H,7,8)/p-1.
What are the key properties of 5-aminopentyl sulfite?
5-aminopentyl sulfite has a molecular weight of 166.22 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentyl sulfite is sourced from PubChem (CID 57200749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).