1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine

C10H16F3NOS — CID 20871009

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine
SMILESC=S(=O)(NCC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C10H16F3NOS/c1-16(15,10(11,12)13)14-6-9-5-7-2-3-8(9)4-7/h7-9H,1-6H2,(H,14,15)
InChIKeyDDDGIJJVFQZSJU-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.16
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine (PubChem CID 20871009) has the molecular formula C10H16F3NOS and a molecular weight of 255.30 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine
PubChem CID20871009
Molecular FormulaC10H16F3NOS
Molecular Weight255.30 g/mol
Exact Mass255.09
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine
SMILESC=S(=O)(NCC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C10H16F3NOS/c1-16(15,10(11,12)13)14-6-9-5-7-2-3-8(9)4-7/h7-9H,1-6H2,(H,14,15)
InChIKeyDDDGIJJVFQZSJU-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine (CID 20871009) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine is C=S(=O)(NCC1CC2CCC1C2)C(F)(F)F.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine?
The InChIKey is DDDGIJJVFQZSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NOS/c1-16(15,10(11,12)13)14-6-9-5-7-2-3-8(9)4-7/h7-9H,1-6H2,(H,14,15).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine has a molecular weight of 255.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]methanamine is sourced from PubChem (CID 20871009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).