2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine

C11H25NS — CID 21060470

IUPAC2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine
SMILESCCN(CC)CCSCC(C)(C)C
InChIInChI=1S/C11H25NS/c1-6-12(7-2)8-9-13-10-11(3,4)5/h6-10H2,1-5H3
InChIKeyRSBOWJAKFHLWAA-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.11
Rot. Bonds6

About 2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine

2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine (PubChem CID 21060470) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine
PubChem CID21060470
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine
SMILESCCN(CC)CCSCC(C)(C)C
InChIInChI=1S/C11H25NS/c1-6-12(7-2)8-9-13-10-11(3,4)5/h6-10H2,1-5H3
InChIKeyRSBOWJAKFHLWAA-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.11
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-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine?
The IUPAC name of 2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine (CID 21060470) is 2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine?
The canonical SMILES for 2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine is CCN(CC)CCSCC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine?
The InChIKey is RSBOWJAKFHLWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-6-12(7-2)8-9-13-10-11(3,4)5/h6-10H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine?
2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine has a molecular weight of 203.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine is sourced from PubChem (CID 21060470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).