ethane;N-ethyl-N-methylsulfanylethanamine

C7H19NS — CID 143371235

IUPACethane;N-ethyl-N-methylsulfanylethanamine
SMILESCC.CCN(CC)SC
InChIInChI=1S/C5H13NS.C2H6/c1-4-6(5-2)7-3;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyLVWOJHDAUQCXOY-UHFFFAOYSA-N
MW149.30 g/mol
LogP2.63
Rot. Bonds3

About ethane;N-ethyl-N-methylsulfanylethanamine

ethane;N-ethyl-N-methylsulfanylethanamine (PubChem CID 143371235) has the molecular formula C7H19NS and a molecular weight of 149.30 g/mol. Its IUPAC name is ethane;N-ethyl-N-methylsulfanylethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-N-methylsulfanylethanamine
PubChem CID143371235
Molecular FormulaC7H19NS
Molecular Weight149.30 g/mol
Exact Mass149.12
IUPAC Nameethane;N-ethyl-N-methylsulfanylethanamine
SMILESCC.CCN(CC)SC
InChIInChI=1S/C5H13NS.C2H6/c1-4-6(5-2)7-3;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyLVWOJHDAUQCXOY-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.30
LogP ≤ 52.63
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 ethane;N-ethyl-N-methylsulfanylethanamine?
The IUPAC name of ethane;N-ethyl-N-methylsulfanylethanamine (CID 143371235) is ethane;N-ethyl-N-methylsulfanylethanamine.
What is the SMILES notation for ethane;N-ethyl-N-methylsulfanylethanamine?
The canonical SMILES for ethane;N-ethyl-N-methylsulfanylethanamine is CC.CCN(CC)SC.
What is the InChIKey of ethane;N-ethyl-N-methylsulfanylethanamine?
The InChIKey is LVWOJHDAUQCXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS.C2H6/c1-4-6(5-2)7-3;1-2/h4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-methylsulfanylethanamine?
ethane;N-ethyl-N-methylsulfanylethanamine has a molecular weight of 149.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methylsulfanylethanamine is sourced from PubChem (CID 143371235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).