3-(sulfinatoamino)nonadecane

C19H40NO2S- — CID 57320987

IUPAC3-(sulfinatoamino)nonadecane
SMILESCCCCCCCCCCCCCCCCC(CC)NS(=O)[O-]
InChIInChI=1S/C19H41NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20-23(21)22/h19-20H,3-18H2,1-2H3,(H,21,22)/p-1
InChIKeyFKDITXRBOWRXFS-UHFFFAOYSA-M
MW346.60 g/mol
LogP6.02
Rot. Bonds18

About 3-(sulfinatoamino)nonadecane

3-(sulfinatoamino)nonadecane (PubChem CID 57320987) has the molecular formula C19H40NO2S- and a molecular weight of 346.60 g/mol. Its IUPAC name is 3-(sulfinatoamino)nonadecane.

Molecular Properties

Compound Name3-(sulfinatoamino)nonadecane
PubChem CID57320987
Molecular FormulaC19H40NO2S-
Molecular Weight346.60 g/mol
Exact Mass346.28
IUPAC Name3-(sulfinatoamino)nonadecane
SMILESCCCCCCCCCCCCCCCCC(CC)NS(=O)[O-]
InChIInChI=1S/C19H41NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20-23(21)22/h19-20H,3-18H2,1-2H3,(H,21,22)/p-1
InChIKeyFKDITXRBOWRXFS-UHFFFAOYSA-M
XLogP6.02
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 56.02
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 3-(sulfinatoamino)nonadecane?
The IUPAC name of 3-(sulfinatoamino)nonadecane (CID 57320987) is 3-(sulfinatoamino)nonadecane.
What is the SMILES notation for 3-(sulfinatoamino)nonadecane?
The canonical SMILES for 3-(sulfinatoamino)nonadecane is CCCCCCCCCCCCCCCCC(CC)NS(=O)[O-].
What is the InChIKey of 3-(sulfinatoamino)nonadecane?
The InChIKey is FKDITXRBOWRXFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H41NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20-23(21)22/h19-20H,3-18H2,1-2H3,(H,21,22)/p-1.
What are the key properties of 3-(sulfinatoamino)nonadecane?
3-(sulfinatoamino)nonadecane has a molecular weight of 346.60 g/mol, XLogP of 6.02, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfinatoamino)nonadecane is sourced from PubChem (CID 57320987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).