N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine

C9H23NS — CID 123553704

IUPACN-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine
SMILESC=S(C)(C)(C)CCN(C)CC
InChIInChI=1S/C9H23NS/c1-7-10(2)8-9-11(3,4,5)6/h3,7-9H2,1-2,4-6H3
InChIKeyTWEAYXKUYBZPEM-UHFFFAOYSA-N
MW177.36 g/mol
LogP1.60
Rot. Bonds4

About N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine

N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine (PubChem CID 123553704) has the molecular formula C9H23NS and a molecular weight of 177.36 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine
PubChem CID123553704
Molecular FormulaC9H23NS
Molecular Weight177.36 g/mol
Exact Mass177.16
IUPAC NameN-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine
SMILESC=S(C)(C)(C)CCN(C)CC
InChIInChI=1S/C9H23NS/c1-7-10(2)8-9-11(3,4,5)6/h3,7-9H2,1-2,4-6H3
InChIKeyTWEAYXKUYBZPEM-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine (CID 123553704) is N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine is C=S(C)(C)(C)CCN(C)CC.
What is the InChIKey of N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine?
The InChIKey is TWEAYXKUYBZPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NS/c1-7-10(2)8-9-11(3,4,5)6/h3,7-9H2,1-2,4-6H3.
What are the key properties of N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine?
N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine has a molecular weight of 177.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[trimethyl(methylidene)-λ6-sulfanyl]ethanamine is sourced from PubChem (CID 123553704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).