2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide

C12H17FN2OS — CID 66219214

IUPAC2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(N)CSCC(=O)NCc1ccccc1F
InChIInChI=1S/C12H17FN2OS/c1-9(14)7-17-8-12(16)15-6-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyHVCRZBWAZZZBNR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.52
Rot. Bonds6

About 2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide

2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 66219214) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID66219214
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(N)CSCC(=O)NCc1ccccc1F
InChIInChI=1S/C12H17FN2OS/c1-9(14)7-17-8-12(16)15-6-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyHVCRZBWAZZZBNR-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142220
2-(2-aminopropylsulfanyl)-N-benzylacetamide
CID 66220422
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94815587
(2S)-2-amino-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 106443246
2-(2-amino-3-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 79131216
N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide
CID 66217235
2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 18098876
2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 66226083
tert-butyl N-[2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanylethyl]carbamate
CID 84557447
2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 43302482
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 43465750

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide (CID 66219214) is 2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide is CC(N)CSCC(=O)NCc1ccccc1F.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is HVCRZBWAZZZBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-9(14)7-17-8-12(16)15-6-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 66219214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).