3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride

C14H23ClN2OS — CID 120501372

IUPAC3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride
SMILESCC(C)Sc1ccccc1NC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-9(2)18-13-8-6-5-7-12(13)16-14(17)10(3)11(4)15;/h5-11H,15H2,1-4H3,(H,16,17);1H
InChIKeyWTSHJPPIZNDSEP-UHFFFAOYSA-N
MW302.87 g/mol
LogP3.53
Rot. Bonds5

About 3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride

3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride (PubChem CID 120501372) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride
PubChem CID120501372
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride
SMILESCC(C)Sc1ccccc1NC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-9(2)18-13-8-6-5-7-12(13)16-14(17)10(3)11(4)15;/h5-11H,15H2,1-4H3,(H,16,17);1H
InChIKeyWTSHJPPIZNDSEP-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
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3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride
CID 120503282
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
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3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
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2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide
CID 167804143
7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
CID 119797982
(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride
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3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride
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N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide
CID 107020226

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride (CID 120501372) is 3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride is CC(C)Sc1ccccc1NC(=O)C(C)C(C)N.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride?
The InChIKey is WTSHJPPIZNDSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS.ClH/c1-9(2)18-13-8-6-5-7-12(13)16-14(17)10(3)11(4)15;/h5-11H,15H2,1-4H3,(H,16,17);1H.
What are the key properties of 3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride?
3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 120501372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).