2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide

C11H19F3N2OS — CID 103809185

IUPAC2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C11H19F3N2OS/c12-11(13,14)18-7-6-16-10(17)8-4-2-1-3-5-9(8)15/h8-9H,1-7,15H2,(H,16,17)
InChIKeyPOTPHYDJKZCJEB-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.26
Rot. Bonds4

About 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide

2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide (PubChem CID 103809185) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide
PubChem CID103809185
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC Name2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C11H19F3N2OS/c12-11(13,14)18-7-6-16-10(17)8-4-2-1-3-5-9(8)15/h8-9H,1-7,15H2,(H,16,17)
InChIKeyPOTPHYDJKZCJEB-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.26
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-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide (CID 103809185) is 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide is NC1CCCCCC1C(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide?
The InChIKey is POTPHYDJKZCJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c12-11(13,14)18-7-6-16-10(17)8-4-2-1-3-5-9(8)15/h8-9H,1-7,15H2,(H,16,17).
What are the key properties of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide?
2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide has a molecular weight of 284.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 103809185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).