N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine

C10H24N2S3 — CID 23002826

IUPACN-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine
SMILESCNCCSCCSCCSCCNC
InChIInChI=1S/C10H24N2S3/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h11-12H,3-10H2,1-2H3
InChIKeyQSTSPZRYEBIOJX-UHFFFAOYSA-N
MW268.52 g/mol
LogP1.62
Rot. Bonds12

About N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine

N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine (PubChem CID 23002826) has the molecular formula C10H24N2S3 and a molecular weight of 268.52 g/mol. Its IUPAC name is N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine
PubChem CID23002826
Molecular FormulaC10H24N2S3
Molecular Weight268.52 g/mol
Exact Mass268.11
IUPAC NameN-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine
SMILESCNCCSCCSCCSCCNC
InChIInChI=1S/C10H24N2S3/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h11-12H,3-10H2,1-2H3
InChIKeyQSTSPZRYEBIOJX-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.52
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine?
The IUPAC name of N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine (CID 23002826) is N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine is CNCCSCCSCCSCCNC.
What is the InChIKey of N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine?
The InChIKey is QSTSPZRYEBIOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S3/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h11-12H,3-10H2,1-2H3.
What are the key properties of N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine?
N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine has a molecular weight of 268.52 g/mol, XLogP of 1.62, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine is sourced from PubChem (CID 23002826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).