N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine

C9H23NS2 — CID 134437628

IUPACN-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine
SMILESCCN(CC)SCCS(C)(C)C
InChIInChI=1S/C9H23NS2/c1-6-10(7-2)11-8-9-12(3,4)5/h6-9H2,1-5H3
InChIKeyPOURKIVWVZONBW-UHFFFAOYSA-N
MW209.42 g/mol
LogP2.67
Rot. Bonds6

About N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine

N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine (PubChem CID 134437628) has the molecular formula C9H23NS2 and a molecular weight of 209.42 g/mol. Its IUPAC name is N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine
PubChem CID134437628
Molecular FormulaC9H23NS2
Molecular Weight209.42 g/mol
Exact Mass209.13
IUPAC NameN-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine
SMILESCCN(CC)SCCS(C)(C)C
InChIInChI=1S/C9H23NS2/c1-6-10(7-2)11-8-9-12(3,4)5/h6-9H2,1-5H3
InChIKeyPOURKIVWVZONBW-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine?
The IUPAC name of N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine (CID 134437628) is N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine?
The canonical SMILES for N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine is CCN(CC)SCCS(C)(C)C.
What is the InChIKey of N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine?
The InChIKey is POURKIVWVZONBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NS2/c1-6-10(7-2)11-8-9-12(3,4)5/h6-9H2,1-5H3.
What are the key properties of N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine?
N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine has a molecular weight of 209.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(trimethyl-λ4-sulfanyl)ethylsulfanyl]ethanamine is sourced from PubChem (CID 134437628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).