N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine

C7H17NS2 — CID 72665446

IUPACN-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCN(C)CCSC
InChIInChI=1S/C7H17NS2/c1-8(4-6-9-2)5-7-10-3/h4-7H2,1-3H3
InChIKeyTUKFYQZNCXXWGK-UHFFFAOYSA-N
MW179.35 g/mol
LogP1.64
Rot. Bonds6

About N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine

N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine (PubChem CID 72665446) has the molecular formula C7H17NS2 and a molecular weight of 179.35 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
PubChem CID72665446
Molecular FormulaC7H17NS2
Molecular Weight179.35 g/mol
Exact Mass179.08
IUPAC NameN-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCN(C)CCSC
InChIInChI=1S/C7H17NS2/c1-8(4-6-9-2)5-7-10-3/h4-7H2,1-3H3
InChIKeyTUKFYQZNCXXWGK-UHFFFAOYSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine?
The IUPAC name of N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine (CID 72665446) is N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine is CSCCN(C)CCSC.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine?
The InChIKey is TUKFYQZNCXXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS2/c1-8(4-6-9-2)5-7-10-3/h4-7H2,1-3H3.
What are the key properties of N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine?
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine has a molecular weight of 179.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 72665446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).