2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide

C15H22N2OS — CID 107295913

IUPAC2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCC1CCSC1)c1ccc(N)cc1
InChIInChI=1S/C15H22N2OS/c1-15(2,12-3-5-13(16)6-4-12)14(18)17-9-11-7-8-19-10-11/h3-6,11H,7-10,16H2,1-2H3,(H,17,18)
InChIKeyCHECDQWMMIEJSV-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.42
Rot. Bonds4

About 2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide

2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide (PubChem CID 107295913) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide
PubChem CID107295913
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCC1CCSC1)c1ccc(N)cc1
InChIInChI=1S/C15H22N2OS/c1-15(2,12-3-5-13(16)6-4-12)14(18)17-9-11-7-8-19-10-11/h3-6,11H,7-10,16H2,1-2H3,(H,17,18)
InChIKeyCHECDQWMMIEJSV-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylpropanamide
CID 80554939
2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 80556787
2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide
CID 80556153
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide
CID 80555501
N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide
CID 80556915
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296190
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
5-amino-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107294726

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide (CID 107295913) is 2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide is CC(C)(C(=O)NCC1CCSC1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide?
The InChIKey is CHECDQWMMIEJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-15(2,12-3-5-13(16)6-4-12)14(18)17-9-11-7-8-19-10-11/h3-6,11H,7-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide?
2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide has a molecular weight of 278.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide is sourced from PubChem (CID 107295913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).