3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide

C12H18N2OS — CID 119331778

IUPAC3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
SMILESCC(C)Sc1ccccc1NC(=O)CCN
InChIInChI=1S/C12H18N2OS/c1-9(2)16-11-6-4-3-5-10(11)14-12(15)7-8-13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyTVIQNYJKSHGYPZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.47
Rot. Bonds5

About 3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide

3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide (PubChem CID 119331778) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
PubChem CID119331778
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
SMILESCC(C)Sc1ccccc1NC(=O)CCN
InChIInChI=1S/C12H18N2OS/c1-9(2)16-11-6-4-3-5-10(11)14-12(15)7-8-13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyTVIQNYJKSHGYPZ-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119797982
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2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
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3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride
CID 120501372
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
CID 167901485
4-amino-N-(2-phenylsulfanylphenyl)butanamide
CID 61253617
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-(3-aminopropanoylamino)benzamide
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N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide?
The IUPAC name of 3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide (CID 119331778) is 3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide?
The canonical SMILES for 3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide is CC(C)Sc1ccccc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide?
The InChIKey is TVIQNYJKSHGYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(2)16-11-6-4-3-5-10(11)14-12(15)7-8-13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide?
3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide has a molecular weight of 238.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide is sourced from PubChem (CID 119331778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).