3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide

C14H22N2OS — CID 115154519

IUPAC3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
SMILESCC(C)Sc1ccc(NC(=O)C(C)(C)CN)cc1
InChIInChI=1S/C14H22N2OS/c1-10(2)18-12-7-5-11(6-8-12)16-13(17)14(3,4)9-15/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyAHPUQMRNVWWRHS-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.11
Rot. Bonds5

About 3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide

3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide (PubChem CID 115154519) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
PubChem CID115154519
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
SMILESCC(C)Sc1ccc(NC(=O)C(C)(C)CN)cc1
InChIInChI=1S/C14H22N2OS/c1-10(2)18-12-7-5-11(6-8-12)16-13(17)14(3,4)9-15/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyAHPUQMRNVWWRHS-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide
CID 115154849
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
(4-propan-2-ylsulfanylphenyl)carbamic acid
CID 115170656
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,2-dimethylpropanamide
CID 60723044
3-chloro-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115162345
3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide
CID 113307498
3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119705445
3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119670707
2-(4-propan-2-ylsulfanylanilino)acetic acid
CID 82494664
1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea
CID 110774685
3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
CID 107701407
1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 115189626

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide (CID 115154519) is 3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide is CC(C)Sc1ccc(NC(=O)C(C)(C)CN)cc1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide?
The InChIKey is AHPUQMRNVWWRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)18-12-7-5-11(6-8-12)16-13(17)14(3,4)9-15/h5-8,10H,9,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide?
3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide has a molecular weight of 266.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide is sourced from PubChem (CID 115154519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).