N-(2-aminopropyl)-2-phenylsulfanylacetamide

C11H16N2OS — CID 63731692

IUPACN-(2-aminopropyl)-2-phenylsulfanylacetamide
SMILESCC(N)CNC(=O)CSc1ccccc1
InChIInChI=1S/C11H16N2OS/c1-9(12)7-13-11(14)8-15-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14)
InChIKeyABRFDWGDLVRKMO-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.24
Rot. Bonds5

About N-(2-aminopropyl)-2-phenylsulfanylacetamide

N-(2-aminopropyl)-2-phenylsulfanylacetamide (PubChem CID 63731692) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-phenylsulfanylacetamide
PubChem CID63731692
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(2-aminopropyl)-2-phenylsulfanylacetamide
SMILESCC(N)CNC(=O)CSc1ccccc1
InChIInChI=1S/C11H16N2OS/c1-9(12)7-13-11(14)8-15-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14)
InChIKeyABRFDWGDLVRKMO-UHFFFAOYSA-N
XLogP1.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide
CID 66107710
N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
CID 81479553
N-(2-ethylbutyl)-2-phenylsulfanylacetamide
CID 115612630
2-phenylsulfanylacetohydrazide
CID 7037418
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylsulfanylacetamide
CID 86984968
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
2-phenylsulfanyl-N-prop-2-ynylacetamide
CID 78792428
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-aminopropyl)-2-phenylsulfanylacetamide (CID 63731692) is N-(2-aminopropyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-aminopropyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-aminopropyl)-2-phenylsulfanylacetamide is CC(N)CNC(=O)CSc1ccccc1.
What is the InChIKey of N-(2-aminopropyl)-2-phenylsulfanylacetamide?
The InChIKey is ABRFDWGDLVRKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9(12)7-13-11(14)8-15-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14).
What are the key properties of N-(2-aminopropyl)-2-phenylsulfanylacetamide?
N-(2-aminopropyl)-2-phenylsulfanylacetamide has a molecular weight of 224.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 63731692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).