N-ethyl-N-(ethylsulfanylmethyl)ethanamine

C7H17NS — CID 559331

IUPACN-ethyl-N-(ethylsulfanylmethyl)ethanamine
SMILESCCSCN(CC)CC
InChIInChI=1S/C7H17NS/c1-4-8(5-2)7-9-6-3/h4-7H2,1-3H3
InChIKeyICOIBUQDJVFIBX-UHFFFAOYSA-N
MW147.29 g/mol
LogP2.04
Rot. Bonds5

About N-ethyl-N-(ethylsulfanylmethyl)ethanamine

N-ethyl-N-(ethylsulfanylmethyl)ethanamine (PubChem CID 559331) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N-ethyl-N-(ethylsulfanylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(ethylsulfanylmethyl)ethanamine
PubChem CID559331
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN-ethyl-N-(ethylsulfanylmethyl)ethanamine
SMILESCCSCN(CC)CC
InChIInChI=1S/C7H17NS/c1-4-8(5-2)7-9-6-3/h4-7H2,1-3H3
InChIKeyICOIBUQDJVFIBX-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(ethylsulfanylmethyl)ethanamine?
The IUPAC name of N-ethyl-N-(ethylsulfanylmethyl)ethanamine (CID 559331) is N-ethyl-N-(ethylsulfanylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(ethylsulfanylmethyl)ethanamine?
The canonical SMILES for N-ethyl-N-(ethylsulfanylmethyl)ethanamine is CCSCN(CC)CC.
What is the InChIKey of N-ethyl-N-(ethylsulfanylmethyl)ethanamine?
The InChIKey is ICOIBUQDJVFIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-4-8(5-2)7-9-6-3/h4-7H2,1-3H3.
What are the key properties of N-ethyl-N-(ethylsulfanylmethyl)ethanamine?
N-ethyl-N-(ethylsulfanylmethyl)ethanamine has a molecular weight of 147.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(ethylsulfanylmethyl)ethanamine is sourced from PubChem (CID 559331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).