N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine

C8H17NS2 — CID 71335497

IUPACN,N-diethyl-1,2-bis(methylsulfanyl)ethenamine
SMILESCCN(CC)C(=CSC)SC
InChIInChI=1S/C8H17NS2/c1-5-9(6-2)8(11-4)7-10-3/h7H,5-6H2,1-4H3
InChIKeyXOHWWWOEILJGDA-UHFFFAOYSA-N
MW191.37 g/mol
LogP2.85
Rot. Bonds5

About N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine

N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine (PubChem CID 71335497) has the molecular formula C8H17NS2 and a molecular weight of 191.37 g/mol. Its IUPAC name is N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine.

Molecular Properties

Compound NameN,N-diethyl-1,2-bis(methylsulfanyl)ethenamine
PubChem CID71335497
Molecular FormulaC8H17NS2
Molecular Weight191.37 g/mol
Exact Mass191.08
IUPAC NameN,N-diethyl-1,2-bis(methylsulfanyl)ethenamine
SMILESCCN(CC)C(=CSC)SC
InChIInChI=1S/C8H17NS2/c1-5-9(6-2)8(11-4)7-10-3/h7H,5-6H2,1-4H3
InChIKeyXOHWWWOEILJGDA-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine?
The IUPAC name of N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine (CID 71335497) is N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine.
What is the SMILES notation for N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine?
The canonical SMILES for N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine is CCN(CC)C(=CSC)SC.
What is the InChIKey of N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine?
The InChIKey is XOHWWWOEILJGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-5-9(6-2)8(11-4)7-10-3/h7H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine?
N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine has a molecular weight of 191.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine is sourced from PubChem (CID 71335497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).