4-amino-3-tert-butylsulfanylbenzamide

C11H16N2OS — CID 63356717

IUPAC4-amino-3-tert-butylsulfanylbenzamide
SMILESCC(C)(C)Sc1cc(C(N)=O)ccc1N
InChIInChI=1S/C11H16N2OS/c1-11(2,3)15-9-6-7(10(13)14)4-5-8(9)12/h4-6H,12H2,1-3H3,(H2,13,14)
InChIKeyIFMMWPQROKAPKK-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.26
Rot. Bonds2

About 4-amino-3-tert-butylsulfanylbenzamide

4-amino-3-tert-butylsulfanylbenzamide (PubChem CID 63356717) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-amino-3-tert-butylsulfanylbenzamide.

Molecular Properties

Compound Name4-amino-3-tert-butylsulfanylbenzamide
PubChem CID63356717
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-amino-3-tert-butylsulfanylbenzamide
SMILESCC(C)(C)Sc1cc(C(N)=O)ccc1N
InChIInChI=1S/C11H16N2OS/c1-11(2,3)15-9-6-7(10(13)14)4-5-8(9)12/h4-6H,12H2,1-3H3,(H2,13,14)
InChIKeyIFMMWPQROKAPKK-UHFFFAOYSA-N
XLogP2.26
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.26
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

4-amino-3-tert-butylsulfanylbenzoic acid
CID 82796409
4-amino-3-benzylsulfanylbenzamide
CID 55189643
4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide
CID 63356632
4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
CID 63356484
3-amino-4-propylsulfanylbenzamide
CID 43448627
4-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide
CID 63356509
1-(4-amino-3-methylsulfanylphenyl)ethanone
CID 116998547
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740
4-[(2-amino-5-methylphenyl)sulfanylmethyl]-3-fluorobenzamide
CID 79142380
3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104827416
3-amino-4-ethylbenzamide
CID 19977641
4-amino-3-[(2-ethyl-2-methylsulfanylbutyl)amino]benzamide
CID 114115594

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-tert-butylsulfanylbenzamide?
The IUPAC name of 4-amino-3-tert-butylsulfanylbenzamide (CID 63356717) is 4-amino-3-tert-butylsulfanylbenzamide.
What is the SMILES notation for 4-amino-3-tert-butylsulfanylbenzamide?
The canonical SMILES for 4-amino-3-tert-butylsulfanylbenzamide is CC(C)(C)Sc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-tert-butylsulfanylbenzamide?
The InChIKey is IFMMWPQROKAPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-11(2,3)15-9-6-7(10(13)14)4-5-8(9)12/h4-6H,12H2,1-3H3,(H2,13,14).
What are the key properties of 4-amino-3-tert-butylsulfanylbenzamide?
4-amino-3-tert-butylsulfanylbenzamide has a molecular weight of 224.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-tert-butylsulfanylbenzamide is sourced from PubChem (CID 63356717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).