N-tert-butylsulfanyl-N-ethylethanamine

C8H19NS — CID 134994851

IUPACN-tert-butylsulfanyl-N-ethylethanamine
SMILESCCN(CC)SC(C)(C)C
InChIInChI=1S/C8H19NS/c1-6-9(7-2)10-8(3,4)5/h6-7H2,1-5H3
InChIKeyQGPHDANNUWZZDJ-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.77
Rot. Bonds3

About N-tert-butylsulfanyl-N-ethylethanamine

N-tert-butylsulfanyl-N-ethylethanamine (PubChem CID 134994851) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-tert-butylsulfanyl-N-ethylethanamine.

Molecular Properties

Compound NameN-tert-butylsulfanyl-N-ethylethanamine
PubChem CID134994851
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-tert-butylsulfanyl-N-ethylethanamine
SMILESCCN(CC)SC(C)(C)C
InChIInChI=1S/C8H19NS/c1-6-9(7-2)10-8(3,4)5/h6-7H2,1-5H3
InChIKeyQGPHDANNUWZZDJ-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.77
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-tert-butylsulfanyl-N-ethylethanamine?
The IUPAC name of N-tert-butylsulfanyl-N-ethylethanamine (CID 134994851) is N-tert-butylsulfanyl-N-ethylethanamine.
What is the SMILES notation for N-tert-butylsulfanyl-N-ethylethanamine?
The canonical SMILES for N-tert-butylsulfanyl-N-ethylethanamine is CCN(CC)SC(C)(C)C.
What is the InChIKey of N-tert-butylsulfanyl-N-ethylethanamine?
The InChIKey is QGPHDANNUWZZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-6-9(7-2)10-8(3,4)5/h6-7H2,1-5H3.
What are the key properties of N-tert-butylsulfanyl-N-ethylethanamine?
N-tert-butylsulfanyl-N-ethylethanamine has a molecular weight of 161.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfanyl-N-ethylethanamine is sourced from PubChem (CID 134994851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).