5-aminopent-1-ene-1-sulfinate

C5H10NO2S- — CID 163645837

IUPAC5-aminopent-1-ene-1-sulfinate
SMILESNCCCC=CS(=O)[O-]
InChIInChI=1S/C5H11NO2S/c6-4-2-1-3-5-9(7)8/h3,5H,1-2,4,6H2,(H,7,8)/p-1
InChIKeyHROTVEGQNQRATQ-UHFFFAOYSA-M
MW148.21 g/mol
LogP0.12
Rot. Bonds4

About 5-aminopent-1-ene-1-sulfinate

5-aminopent-1-ene-1-sulfinate (PubChem CID 163645837) has the molecular formula C5H10NO2S- and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-aminopent-1-ene-1-sulfinate.

Molecular Properties

Compound Name5-aminopent-1-ene-1-sulfinate
PubChem CID163645837
Molecular FormulaC5H10NO2S-
Molecular Weight148.21 g/mol
Exact Mass148.04
IUPAC Name5-aminopent-1-ene-1-sulfinate
SMILESNCCCC=CS(=O)[O-]
InChIInChI=1S/C5H11NO2S/c6-4-2-1-3-5-9(7)8/h3,5H,1-2,4,6H2,(H,7,8)/p-1
InChIKeyHROTVEGQNQRATQ-UHFFFAOYSA-M
XLogP0.12
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
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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Related Compounds

(E)-pent-1-ene-1,5-diamine
CID 87610087
4-aminobutanethial
CID 22349328
tetradec-7-ene-1,14-diamine
CID 91430908
7-aminohept-3-enylazanium
CID 163603565
(E)-dec-1-ene-1,10-diamine
CID 87528471
(E)-8-aminooct-4-enoic acid
CID 6365538
7-amino-2-oxohept-3-enoic acid
CID 76542094
hexadec-4-en-1-amine
CID 123939288
4-aminobutanal;ethane
CID 91518862
(E)-6-trimethylsilylhex-4-en-1-amine
CID 13434271
10-aminodeca-3,6-dienoic acid
CID 123700269
(Z)-hept-5-en-1-amine
CID 55299761

Frequently Asked Questions

What is the IUPAC name of 5-aminopent-1-ene-1-sulfinate?
The IUPAC name of 5-aminopent-1-ene-1-sulfinate (CID 163645837) is 5-aminopent-1-ene-1-sulfinate.
What is the SMILES notation for 5-aminopent-1-ene-1-sulfinate?
The canonical SMILES for 5-aminopent-1-ene-1-sulfinate is NCCCC=CS(=O)[O-].
What is the InChIKey of 5-aminopent-1-ene-1-sulfinate?
The InChIKey is HROTVEGQNQRATQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO2S/c6-4-2-1-3-5-9(7)8/h3,5H,1-2,4,6H2,(H,7,8)/p-1.
What are the key properties of 5-aminopent-1-ene-1-sulfinate?
5-aminopent-1-ene-1-sulfinate has a molecular weight of 148.21 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopent-1-ene-1-sulfinate is sourced from PubChem (CID 163645837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).