2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide

C12H17FN2OS — CID 66216831

IUPAC2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSCCCN
InChIInChI=1S/C12H17FN2OS/c1-9-3-4-10(13)7-11(9)15-12(16)8-17-6-2-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)
InChIKeyDXZDKCQQQKXTTD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.15
Rot. Bonds6

About 2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide

2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 66216831) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID66216831
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSCCCN
InChIInChI=1S/C12H17FN2OS/c1-9-3-4-10(13)7-11(9)15-12(16)8-17-6-2-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)
InChIKeyDXZDKCQQQKXTTD-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127421
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969
N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66115840
N-(5-amino-2-methylphenyl)-2-butylsulfanylacetamide
CID 43615751
2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide
CID 66220054
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77059988
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 82181054
2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 66217561
2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79134564

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide (CID 66216831) is 2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)CSCCCN.
What is the InChIKey of 2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is DXZDKCQQQKXTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-9-3-4-10(13)7-11(9)15-12(16)8-17-6-2-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of 2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide?
2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 66216831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).