N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide

C13H17F3N2OS — CID 120649399

IUPACN-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide
SMILESNCCCN(Cc1ccccc1)C(=O)CSC(F)(F)F
InChIInChI=1S/C13H17F3N2OS/c14-13(15,16)20-10-12(19)18(8-4-7-17)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,17H2
InChIKeyCFVUCYNBPHSQOR-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.62
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide

N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 120649399) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide
PubChem CID120649399
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide
SMILESNCCCN(Cc1ccccc1)C(=O)CSC(F)(F)F
InChIInChI=1S/C13H17F3N2OS/c14-13(15,16)20-10-12(19)18(8-4-7-17)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,17H2
InChIKeyCFVUCYNBPHSQOR-UHFFFAOYSA-N
XLogP2.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylacetamide
CID 107366137
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
2-amino-N-benzyl-N-(3-hydroxypropyl)acetamide
CID 139387164
N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride
CID 120649975
N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide
CID 107366214
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
CID 107365679

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide (CID 120649399) is N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide is NCCCN(Cc1ccccc1)C(=O)CSC(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is CFVUCYNBPHSQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c14-13(15,16)20-10-12(19)18(8-4-7-17)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,17H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide?
N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 306.35 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 120649399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).