2-(sulfinatoamino)nonane

C9H20NO2S- — CID 57421735

IUPAC2-(sulfinatoamino)nonane
SMILESCCCCCCCC(C)NS(=O)[O-]
InChIInChI=1S/C9H21NO2S/c1-3-4-5-6-7-8-9(2)10-13(11)12/h9-10H,3-8H2,1-2H3,(H,11,12)/p-1
InChIKeyXBJRCSIDKLXDSP-UHFFFAOYSA-M
MW206.33 g/mol
LogP2.12
Rot. Bonds8

About 2-(sulfinatoamino)nonane

2-(sulfinatoamino)nonane (PubChem CID 57421735) has the molecular formula C9H20NO2S- and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(sulfinatoamino)nonane.

Molecular Properties

Compound Name2-(sulfinatoamino)nonane
PubChem CID57421735
Molecular FormulaC9H20NO2S-
Molecular Weight206.33 g/mol
Exact Mass206.12
IUPAC Name2-(sulfinatoamino)nonane
SMILESCCCCCCCC(C)NS(=O)[O-]
InChIInChI=1S/C9H21NO2S/c1-3-4-5-6-7-8-9(2)10-13(11)12/h9-10H,3-8H2,1-2H3,(H,11,12)/p-1
InChIKeyXBJRCSIDKLXDSP-UHFFFAOYSA-M
XLogP2.12
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.12
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 2-(sulfinatoamino)nonane?
The IUPAC name of 2-(sulfinatoamino)nonane (CID 57421735) is 2-(sulfinatoamino)nonane.
What is the SMILES notation for 2-(sulfinatoamino)nonane?
The canonical SMILES for 2-(sulfinatoamino)nonane is CCCCCCCC(C)NS(=O)[O-].
What is the InChIKey of 2-(sulfinatoamino)nonane?
The InChIKey is XBJRCSIDKLXDSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H21NO2S/c1-3-4-5-6-7-8-9(2)10-13(11)12/h9-10H,3-8H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 2-(sulfinatoamino)nonane?
2-(sulfinatoamino)nonane has a molecular weight of 206.33 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinatoamino)nonane is sourced from PubChem (CID 57421735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).