2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide

C14H21N3O2S — CID 120649057

IUPAC2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
SMILESNCCCN(Cc1ccccc1)C(=O)CSCC(N)=O
InChIInChI=1S/C14H21N3O2S/c15-7-4-8-17(9-12-5-2-1-3-6-12)14(19)11-20-10-13(16)18/h1-3,5-6H,4,7-11,15H2,(H2,16,18)
InChIKeyUXGKJFBOYSLHAZ-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.58
Rot. Bonds9

About 2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide

2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 120649057) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
PubChem CID120649057
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
SMILESNCCCN(Cc1ccccc1)C(=O)CSCC(N)=O
InChIInChI=1S/C14H21N3O2S/c15-7-4-8-17(9-12-5-2-1-3-6-12)14(19)11-20-10-13(16)18/h1-3,5-6H,4,7-11,15H2,(H2,16,18)
InChIKeyUXGKJFBOYSLHAZ-UHFFFAOYSA-N
XLogP0.58
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide
CID 120649399
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
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-(triazol-1-yl)acetamide
CID 107366214
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
CID 43249408
4-amino-N-benzyl-N-propylbutanamide
CID 43588666

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide (CID 120649057) is 2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide is NCCCN(Cc1ccccc1)C(=O)CSCC(N)=O.
What is the InChIKey of 2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is UXGKJFBOYSLHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-7-4-8-17(9-12-5-2-1-3-6-12)14(19)11-20-10-13(16)18/h1-3,5-6H,4,7-11,15H2,(H2,16,18).
What are the key properties of 2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide?
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 295.41 g/mol, XLogP of 0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 120649057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).