sulfanium;N-decyldecan-1-amine;chloride

C20H46ClNS — CID 158756952

IUPACsulfanium;N-decyldecan-1-amine;chloride
SMILESCCCCCCCCCCNCCCCCCCCCC.[Cl-].[SH3+]
InChIInChI=1S/C20H43N.ClH.H2S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;;/h21H,3-20H2,1-2H3;1H;1H2
InChIKeyAMDDRGCJTJFAHO-UHFFFAOYSA-N
MW368.12 g/mol
LogP3.06
Rot. Bonds18

About sulfanium;N-decyldecan-1-amine;chloride

sulfanium;N-decyldecan-1-amine;chloride (PubChem CID 158756952) has the molecular formula C20H46ClNS and a molecular weight of 368.12 g/mol. Its IUPAC name is sulfanium;N-decyldecan-1-amine;chloride.

Molecular Properties

Compound Namesulfanium;N-decyldecan-1-amine;chloride
PubChem CID158756952
Molecular FormulaC20H46ClNS
Molecular Weight368.12 g/mol
Exact Mass367.30
IUPAC Namesulfanium;N-decyldecan-1-amine;chloride
SMILESCCCCCCCCCCNCCCCCCCCCC.[Cl-].[SH3+]
InChIInChI=1S/C20H43N.ClH.H2S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;;/h21H,3-20H2,1-2H3;1H;1H2
InChIKeyAMDDRGCJTJFAHO-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.12
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
azane;N-hexyldecan-1-amine;dihydroiodide
CID 173206397

Frequently Asked Questions

What is the IUPAC name of sulfanium;N-decyldecan-1-amine;chloride?
The IUPAC name of sulfanium;N-decyldecan-1-amine;chloride (CID 158756952) is sulfanium;N-decyldecan-1-amine;chloride.
What is the SMILES notation for sulfanium;N-decyldecan-1-amine;chloride?
The canonical SMILES for sulfanium;N-decyldecan-1-amine;chloride is CCCCCCCCCCNCCCCCCCCCC.[Cl-].[SH3+].
What is the InChIKey of sulfanium;N-decyldecan-1-amine;chloride?
The InChIKey is AMDDRGCJTJFAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N.ClH.H2S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;;/h21H,3-20H2,1-2H3;1H;1H2.
What are the key properties of sulfanium;N-decyldecan-1-amine;chloride?
sulfanium;N-decyldecan-1-amine;chloride has a molecular weight of 368.12 g/mol, XLogP of 3.06, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanium;N-decyldecan-1-amine;chloride is sourced from PubChem (CID 158756952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).