2-ethylsulfanyl-N,N-dimethylethanamine

C6H15NS — CID 13028504

IUPAC2-ethylsulfanyl-N,N-dimethylethanamine
SMILESCCSCCN(C)C
InChIInChI=1S/C6H15NS/c1-4-8-6-5-7(2)3/h4-6H2,1-3H3
InChIKeyHVGXBTAZHRXSGK-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.30
Rot. Bonds4

About 2-ethylsulfanyl-N,N-dimethylethanamine

2-ethylsulfanyl-N,N-dimethylethanamine (PubChem CID 13028504) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 2-ethylsulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N,N-dimethylethanamine
PubChem CID13028504
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name2-ethylsulfanyl-N,N-dimethylethanamine
SMILESCCSCCN(C)C
InChIInChI=1S/C6H15NS/c1-4-8-6-5-7(2)3/h4-6H2,1-3H3
InChIKeyHVGXBTAZHRXSGK-UHFFFAOYSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-ethylsulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-ethylsulfanyl-N,N-dimethylethanamine (CID 13028504) is 2-ethylsulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-ethylsulfanyl-N,N-dimethylethanamine is CCSCCN(C)C.
What is the InChIKey of 2-ethylsulfanyl-N,N-dimethylethanamine?
The InChIKey is HVGXBTAZHRXSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-4-8-6-5-7(2)3/h4-6H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-N,N-dimethylethanamine?
2-ethylsulfanyl-N,N-dimethylethanamine has a molecular weight of 133.26 g/mol, XLogP of 1.30, 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 is sourced from PubChem (CID 13028504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).