3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine

C9H19NS2 — CID 10965650

IUPAC3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine
SMILESCCSC(=CCN(C)C)SCC
InChIInChI=1S/C9H19NS2/c1-5-11-9(12-6-2)7-8-10(3)4/h7H,5-6,8H2,1-4H3
InChIKeyWWYAARCXIJEJPG-UHFFFAOYSA-N
MW205.39 g/mol
LogP2.90
Rot. Bonds6

About 3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine

3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine (PubChem CID 10965650) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is 3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine
PubChem CID10965650
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine
SMILESCCSC(=CCN(C)C)SCC
InChIInChI=1S/C9H19NS2/c1-5-11-9(12-6-2)7-8-10(3)4/h7H,5-6,8H2,1-4H3
InChIKeyWWYAARCXIJEJPG-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of 3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine (CID 10965650) is 3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for 3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine is CCSC(=CCN(C)C)SCC.
What is the InChIKey of 3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine?
The InChIKey is WWYAARCXIJEJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-5-11-9(12-6-2)7-8-10(3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of 3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine?
3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine has a molecular weight of 205.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 10965650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).