N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide

C13H20N2OS — CID 107366128

IUPACN-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
SMILESCSCC(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C13H20N2OS/c1-17-11-13(16)15(9-5-8-14)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,14H2,1H3
InChIKeyDFBMNPWWUABURL-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.73
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide

N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide (PubChem CID 107366128) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
PubChem CID107366128
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
SMILESCSCC(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C13H20N2OS/c1-17-11-13(16)15(9-5-8-14)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,14H2,1H3
InChIKeyDFBMNPWWUABURL-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057
3-[benzyl-(2-methylsulfanylacetyl)amino]propanoic acid
CID 45343218
N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide
CID 120649399
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

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide (CID 107366128) is N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide is CSCC(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide?
The InChIKey is DFBMNPWWUABURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-17-11-13(16)15(9-5-8-14)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide?
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide has a molecular weight of 252.38 g/mol, XLogP of 1.73, 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-methylsulfanylacetamide is sourced from PubChem (CID 107366128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).