2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide

C12H16N2O2S — CID 114233465

IUPAC2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide
SMILESNc1cc(CSCC(=O)NC2CC2)ccc1O
InChIInChI=1S/C12H16N2O2S/c13-10-5-8(1-4-11(10)15)6-17-7-12(16)14-9-2-3-9/h1,4-5,9,15H,2-3,6-7,13H2,(H,14,16)
InChIKeyUZTCLDPYWJUNMU-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.49
Rot. Bonds5

About 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide

2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide (PubChem CID 114233465) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide
PubChem CID114233465
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide
SMILESNc1cc(CSCC(=O)NC2CC2)ccc1O
InChIInChI=1S/C12H16N2O2S/c13-10-5-8(1-4-11(10)15)6-17-7-12(16)14-9-2-3-9/h1,4-5,9,15H,2-3,6-7,13H2,(H,14,16)
InChIKeyUZTCLDPYWJUNMU-UHFFFAOYSA-N
XLogP1.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 134017051
N-cyclopentyl-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309803
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-cyclohexylacetamide
CID 17405781
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide
CID 119388300
2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 114233506
2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 53278905
N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 75361908
2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
CID 134047639
2-amino-4-[(4-chlorophenyl)methylsulfanylmethyl]phenol
CID 114790369
4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79376745

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide (CID 114233465) is 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide is Nc1cc(CSCC(=O)NC2CC2)ccc1O.
What is the InChIKey of 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide?
The InChIKey is UZTCLDPYWJUNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c13-10-5-8(1-4-11(10)15)6-17-7-12(16)14-9-2-3-9/h1,4-5,9,15H,2-3,6-7,13H2,(H,14,16).
What are the key properties of 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide?
2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide has a molecular weight of 252.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide is sourced from PubChem (CID 114233465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).