2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium

C6H14NRfS- — CID 59870360

IUPAC2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium
SMILES[CH2-]CSCCN(C)C.[Rf]
InChIInChI=1S/C6H14NS.Rf/c1-4-8-6-5-7(2)3;/h1,4-6H2,2-3H3;/q-1;
InChIKeyQSQYZAVVCOSPNL-UHFFFAOYSA-N
MW399.25 g/mol
LogP1.12
Rot. Bonds4

About 2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium

2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium (PubChem CID 59870360) has the molecular formula C6H14NRfS- and a molecular weight of 399.25 g/mol. Its IUPAC name is 2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium.

Molecular Properties

Compound Name2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium
PubChem CID59870360
Molecular FormulaC6H14NRfS-
Molecular Weight399.25 g/mol
Exact Mass399.21
IUPAC Name2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium
SMILES[CH2-]CSCCN(C)C.[Rf]
InChIInChI=1S/C6H14NS.Rf/c1-4-8-6-5-7(2)3;/h1,4-6H2,2-3H3;/q-1;
InChIKeyQSQYZAVVCOSPNL-UHFFFAOYSA-N
XLogP1.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium?
The IUPAC name of 2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium (CID 59870360) is 2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium.
What is the SMILES notation for 2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium?
The canonical SMILES for 2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium is [CH2-]CSCCN(C)C.[Rf].
What is the InChIKey of 2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium?
The InChIKey is QSQYZAVVCOSPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NS.Rf/c1-4-8-6-5-7(2)3;/h1,4-6H2,2-3H3;/q-1;.
What are the key properties of 2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium?
2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium has a molecular weight of 399.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium is sourced from PubChem (CID 59870360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).