N-(4-aminophenyl)sulfanyl-2-methylpropanamide

C10H14N2OS — CID 156816750

IUPACN-(4-aminophenyl)sulfanyl-2-methylpropanamide
SMILESCC(C)C(=O)NSc1ccc(N)cc1
InChIInChI=1S/C10H14N2OS/c1-7(2)10(13)12-14-9-5-3-8(11)4-6-9/h3-7H,11H2,1-2H3,(H,12,13)
InChIKeyGEXZTNAIMHDZQA-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.05
Rot. Bonds3

About N-(4-aminophenyl)sulfanyl-2-methylpropanamide

N-(4-aminophenyl)sulfanyl-2-methylpropanamide (PubChem CID 156816750) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfanyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfanyl-2-methylpropanamide
PubChem CID156816750
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC NameN-(4-aminophenyl)sulfanyl-2-methylpropanamide
SMILESCC(C)C(=O)NSc1ccc(N)cc1
InChIInChI=1S/C10H14N2OS/c1-7(2)10(13)12-14-9-5-3-8(11)4-6-9/h3-7H,11H2,1-2H3,(H,12,13)
InChIKeyGEXZTNAIMHDZQA-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfanyl-2-methylpropanamide?
The IUPAC name of N-(4-aminophenyl)sulfanyl-2-methylpropanamide (CID 156816750) is N-(4-aminophenyl)sulfanyl-2-methylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)sulfanyl-2-methylpropanamide?
The canonical SMILES for N-(4-aminophenyl)sulfanyl-2-methylpropanamide is CC(C)C(=O)NSc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)sulfanyl-2-methylpropanamide?
The InChIKey is GEXZTNAIMHDZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7(2)10(13)12-14-9-5-3-8(11)4-6-9/h3-7H,11H2,1-2H3,(H,12,13).
What are the key properties of N-(4-aminophenyl)sulfanyl-2-methylpropanamide?
N-(4-aminophenyl)sulfanyl-2-methylpropanamide has a molecular weight of 210.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfanyl-2-methylpropanamide is sourced from PubChem (CID 156816750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).