N-butylsulfanyl-N-ethylethanamine

C8H19NS — CID 13152232

IUPACN-butylsulfanyl-N-ethylethanamine
SMILESCCCCSN(CC)CC
InChIInChI=1S/C8H19NS/c1-4-7-8-10-9(5-2)6-3/h4-8H2,1-3H3
InChIKeyMSSSWNCGYXGDGI-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.78
Rot. Bonds6

About N-butylsulfanyl-N-ethylethanamine

N-butylsulfanyl-N-ethylethanamine (PubChem CID 13152232) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-butylsulfanyl-N-ethylethanamine.

Molecular Properties

Compound NameN-butylsulfanyl-N-ethylethanamine
PubChem CID13152232
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-butylsulfanyl-N-ethylethanamine
SMILESCCCCSN(CC)CC
InChIInChI=1S/C8H19NS/c1-4-7-8-10-9(5-2)6-3/h4-8H2,1-3H3
InChIKeyMSSSWNCGYXGDGI-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butylsulfanyl-N-ethylethanamine 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 N-butylsulfanyl-N-ethylethanamine?
The IUPAC name of N-butylsulfanyl-N-ethylethanamine (CID 13152232) is N-butylsulfanyl-N-ethylethanamine.
What is the SMILES notation for N-butylsulfanyl-N-ethylethanamine?
The canonical SMILES for N-butylsulfanyl-N-ethylethanamine is CCCCSN(CC)CC.
What is the InChIKey of N-butylsulfanyl-N-ethylethanamine?
The InChIKey is MSSSWNCGYXGDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-4-7-8-10-9(5-2)6-3/h4-8H2,1-3H3.
What are the key properties of N-butylsulfanyl-N-ethylethanamine?
N-butylsulfanyl-N-ethylethanamine has a molecular weight of 161.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfanyl-N-ethylethanamine is sourced from PubChem (CID 13152232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).