N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide

C11H16N2O2S — CID 119405825

IUPACN-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESNCCCNC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C11H16N2O2S/c12-6-1-7-13-11(15)8-16-10-4-2-9(14)3-5-10/h2-5,14H,1,6-8,12H2,(H,13,15)
InChIKeyIAVFGKXHHODNEJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.95
Rot. Bonds6

About N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide

N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide (PubChem CID 119405825) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide
PubChem CID119405825
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESNCCCNC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C11H16N2O2S/c12-6-1-7-13-11(15)8-16-10-4-2-9(14)3-5-10/h2-5,14H,1,6-8,12H2,(H,13,15)
InChIKeyIAVFGKXHHODNEJ-UHFFFAOYSA-N
XLogP0.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999193
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride
CID 119640688
N-(3-bromopropyl)-2-phenylsulfanylacetamide
CID 69178614
N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide
CID 54548029
2-(4-tert-butylphenyl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 78854668
2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107318521
2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534534
ethyl 4-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoate
CID 60625103
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999188
bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene
CID 91553556

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide (CID 119405825) is N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide is NCCCNC(=O)CSc1ccc(O)cc1.
What is the InChIKey of N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The InChIKey is IAVFGKXHHODNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-6-1-7-13-11(15)8-16-10-4-2-9(14)3-5-10/h2-5,14H,1,6-8,12H2,(H,13,15).
What are the key properties of N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide has a molecular weight of 240.33 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 119405825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).