2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline

C14H18N2S — CID 143563572

IUPAC2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline
SMILESC=CC1CC1C(=C)NSc1ccccc1NC
InChIInChI=1S/C14H18N2S/c1-4-11-9-12(11)10(2)16-17-14-8-6-5-7-13(14)15-3/h4-8,11-12,15-16H,1-2,9H2,3H3
InChIKeyQQWORLNOTVERLC-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.66
Rot. Bonds6

About 2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline

2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline (PubChem CID 143563572) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline.

Molecular Properties

Compound Name2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline
PubChem CID143563572
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline
SMILESC=CC1CC1C(=C)NSc1ccccc1NC
InChIInChI=1S/C14H18N2S/c1-4-11-9-12(11)10(2)16-17-14-8-6-5-7-13(14)15-3/h4-8,11-12,15-16H,1-2,9H2,3H3
InChIKeyQQWORLNOTVERLC-UHFFFAOYSA-N
XLogP3.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline?
The IUPAC name of 2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline (CID 143563572) is 2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline.
What is the SMILES notation for 2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline?
The canonical SMILES for 2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline is C=CC1CC1C(=C)NSc1ccccc1NC.
What is the InChIKey of 2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline?
The InChIKey is QQWORLNOTVERLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-11-9-12(11)10(2)16-17-14-8-6-5-7-13(14)15-3/h4-8,11-12,15-16H,1-2,9H2,3H3.
What are the key properties of 2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline?
2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline has a molecular weight of 246.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline is sourced from PubChem (CID 143563572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).