4-(aminomethylsulfinyl)benzamide

C8H10N2O2S — CID 68799572

IUPAC4-(aminomethylsulfinyl)benzamide
SMILESNCS(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C8H10N2O2S/c9-5-13(12)7-3-1-6(2-4-7)8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKeyVTPUPGNGMLWYKT-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.19
Rot. Bonds3

About 4-(aminomethylsulfinyl)benzamide

4-(aminomethylsulfinyl)benzamide (PubChem CID 68799572) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 4-(aminomethylsulfinyl)benzamide.

Molecular Properties

Compound Name4-(aminomethylsulfinyl)benzamide
PubChem CID68799572
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name4-(aminomethylsulfinyl)benzamide
SMILESNCS(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C8H10N2O2S/c9-5-13(12)7-3-1-6(2-4-7)8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKeyVTPUPGNGMLWYKT-UHFFFAOYSA-N
XLogP-0.19
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethylsulfinyl)benzamide?
The IUPAC name of 4-(aminomethylsulfinyl)benzamide (CID 68799572) is 4-(aminomethylsulfinyl)benzamide.
What is the SMILES notation for 4-(aminomethylsulfinyl)benzamide?
The canonical SMILES for 4-(aminomethylsulfinyl)benzamide is NCS(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(aminomethylsulfinyl)benzamide?
The InChIKey is VTPUPGNGMLWYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-5-13(12)7-3-1-6(2-4-7)8(10)11/h1-4H,5,9H2,(H2,10,11).
What are the key properties of 4-(aminomethylsulfinyl)benzamide?
4-(aminomethylsulfinyl)benzamide has a molecular weight of 198.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethylsulfinyl)benzamide is sourced from PubChem (CID 68799572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).