N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide

C16H26N2OS — CID 107365756

IUPACN-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)20-13-15(19)18(11-7-10-17)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13,17H2,1-3H3
InChIKeyXDAQOKDGOGDRIK-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.90
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide

N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide (PubChem CID 107365756) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
PubChem CID107365756
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)20-13-15(19)18(11-7-10-17)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13,17H2,1-3H3
InChIKeyXDAQOKDGOGDRIK-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide
CID 120649399
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylacetamide
CID 107366137
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
CID 107365679
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide
CID 120649709
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 120648313
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide (CID 107365756) is N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide is CC(C)(C)SCC(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide?
The InChIKey is XDAQOKDGOGDRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-16(2,3)20-13-15(19)18(11-7-10-17)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13,17H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide?
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide has a molecular weight of 294.46 g/mol, XLogP of 2.90, 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-tert-butylsulfanylacetamide is sourced from PubChem (CID 107365756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).