2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine

C7H16N2S — CID 20759253

IUPAC2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine
SMILESC=CNCCSCCNC
InChIInChI=1S/C7H16N2S/c1-3-9-5-7-10-6-4-8-2/h3,8-9H,1,4-7H2,2H3
InChIKeyPKKILYLLLSQZEU-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.67
Rot. Bonds7

About 2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine

2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine (PubChem CID 20759253) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine
PubChem CID20759253
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine
SMILESC=CNCCSCCNC
InChIInChI=1S/C7H16N2S/c1-3-9-5-7-10-6-4-8-2/h3,8-9H,1,4-7H2,2H3
InChIKeyPKKILYLLLSQZEU-UHFFFAOYSA-N
XLogP0.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine?
The IUPAC name of 2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine (CID 20759253) is 2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine?
The canonical SMILES for 2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine is C=CNCCSCCNC.
What is the InChIKey of 2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine?
The InChIKey is PKKILYLLLSQZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-3-9-5-7-10-6-4-8-2/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine?
2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine has a molecular weight of 160.29 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethenylamino)ethylsulfanyl]-N-methylethanamine is sourced from PubChem (CID 20759253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).