N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide

C11H16N2OS — CID 117032539

IUPACN-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(C)(C)N)cc1
InChIInChI=1S/C11H16N2OS/c1-8(14)13-9-4-6-10(7-5-9)15-11(2,3)12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyDBTVOTSZUMRZOD-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.43
Rot. Bonds3

About N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide

N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide (PubChem CID 117032539) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
PubChem CID117032539
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(C)(C)N)cc1
InChIInChI=1S/C11H16N2OS/c1-8(14)13-9-4-6-10(7-5-9)15-11(2,3)12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyDBTVOTSZUMRZOD-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide
CID 162538856
N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide
CID 117032830
N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide
CID 64649554
(2S)-2-amino-N-(4-tert-butylsulfanylphenyl)propanamide
CID 119315495
2-amino-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 61265174
2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 79796566
N-[4-[(1R)-1-amino-2,2-dimethylpropyl]phenyl]acetamide
CID 131465093
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 68620555
2-(4-acetamidophenyl)sulfanylethyl acetate
CID 71349184
N-(4-acetamidophenyl)-2-amino-2-cyclopropylpropanamide
CID 60866095

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide (CID 117032539) is N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide is CC(=O)Nc1ccc(SC(C)(C)N)cc1.
What is the InChIKey of N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide?
The InChIKey is DBTVOTSZUMRZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(14)13-9-4-6-10(7-5-9)15-11(2,3)12/h4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide?
N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide has a molecular weight of 224.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 117032539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).