2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide

C12H18N2O2S — CID 81189474

IUPAC2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide
SMILESCC(C)(N)CS(=O)Cc1ccccc1C(N)=O
InChIInChI=1S/C12H18N2O2S/c1-12(2,14)8-17(16)7-9-5-3-4-6-10(9)11(13)15/h3-6H,7-8,14H2,1-2H3,(H2,13,15)
InChIKeyLPXDSIHRBIKCKU-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.77
Rot. Bonds5

About 2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide

2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide (PubChem CID 81189474) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide
PubChem CID81189474
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide
SMILESCC(C)(N)CS(=O)Cc1ccccc1C(N)=O
InChIInChI=1S/C12H18N2O2S/c1-12(2,14)8-17(16)7-9-5-3-4-6-10(9)11(13)15/h3-6H,7-8,14H2,1-2H3,(H2,13,15)
InChIKeyLPXDSIHRBIKCKU-UHFFFAOYSA-N
XLogP0.77
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide?
The IUPAC name of 2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide (CID 81189474) is 2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide.
What is the SMILES notation for 2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide?
The canonical SMILES for 2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide is CC(C)(N)CS(=O)Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide?
The InChIKey is LPXDSIHRBIKCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(2,14)8-17(16)7-9-5-3-4-6-10(9)11(13)15/h3-6H,7-8,14H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide?
2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide has a molecular weight of 254.36 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide is sourced from PubChem (CID 81189474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).