1-(sulfinatoamino)pentane

C5H12NO2S- — CID 19067790

IUPAC1-(sulfinatoamino)pentane
SMILESCCCCCNS(=O)[O-]
InChIInChI=1S/C5H13NO2S/c1-2-3-4-5-6-9(7)8/h6H,2-5H2,1H3,(H,7,8)/p-1
InChIKeyHAPAKXDNFAVVAF-UHFFFAOYSA-M
MW150.22 g/mol
LogP0.56
Rot. Bonds5

About 1-(sulfinatoamino)pentane

1-(sulfinatoamino)pentane (PubChem CID 19067790) has the molecular formula C5H12NO2S- and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(sulfinatoamino)pentane.

Molecular Properties

Compound Name1-(sulfinatoamino)pentane
PubChem CID19067790
Molecular FormulaC5H12NO2S-
Molecular Weight150.22 g/mol
Exact Mass150.06
IUPAC Name1-(sulfinatoamino)pentane
SMILESCCCCCNS(=O)[O-]
InChIInChI=1S/C5H13NO2S/c1-2-3-4-5-6-9(7)8/h6H,2-5H2,1H3,(H,7,8)/p-1
InChIKeyHAPAKXDNFAVVAF-UHFFFAOYSA-M
XLogP0.56
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(sulfinatoamino)pentane?
The IUPAC name of 1-(sulfinatoamino)pentane (CID 19067790) is 1-(sulfinatoamino)pentane.
What is the SMILES notation for 1-(sulfinatoamino)pentane?
The canonical SMILES for 1-(sulfinatoamino)pentane is CCCCCNS(=O)[O-].
What is the InChIKey of 1-(sulfinatoamino)pentane?
The InChIKey is HAPAKXDNFAVVAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO2S/c1-2-3-4-5-6-9(7)8/h6H,2-5H2,1H3,(H,7,8)/p-1.
What are the key properties of 1-(sulfinatoamino)pentane?
1-(sulfinatoamino)pentane has a molecular weight of 150.22 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinatoamino)pentane is sourced from PubChem (CID 19067790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).