2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide

C10H17F3N2OS — CID 103368851

IUPAC2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide
SMILESNC(=S)C(CN(CCO)C1CCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2OS/c11-10(12,13)8(9(14)17)6-15(4-5-16)7-2-1-3-7/h7-8,16H,1-6H2,(H2,14,17)
InChIKeyQOSMBMASJWALDM-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.30
Rot. Bonds6

About 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide

2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide (PubChem CID 103368851) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide.

Molecular Properties

Compound Name2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide
PubChem CID103368851
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide
SMILESNC(=S)C(CN(CCO)C1CCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2OS/c11-10(12,13)8(9(14)17)6-15(4-5-16)7-2-1-3-7/h7-8,16H,1-6H2,(H2,14,17)
InChIKeyQOSMBMASJWALDM-UHFFFAOYSA-N
XLogP1.30
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide?
The IUPAC name of 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide (CID 103368851) is 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide.
What is the SMILES notation for 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide?
The canonical SMILES for 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide is NC(=S)C(CN(CCO)C1CCC1)C(F)(F)F.
What is the InChIKey of 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide?
The InChIKey is QOSMBMASJWALDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c11-10(12,13)8(9(14)17)6-15(4-5-16)7-2-1-3-7/h7-8,16H,1-6H2,(H2,14,17).
What are the key properties of 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide?
2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide has a molecular weight of 270.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanethioamide is sourced from PubChem (CID 103368851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).