4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide

C12H18N2O3S — CID 81196401

IUPAC4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide
SMILESCC(CN)CS(=O)(=O)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-9(6-13)7-18(16,17)8-10-2-4-11(5-3-10)12(14)15/h2-5,9H,6-8,13H2,1H3,(H2,14,15)
InChIKeyVOEYHJYDLGZAMS-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.30
Rot. Bonds6

About 4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide

4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide (PubChem CID 81196401) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide.

Molecular Properties

Compound Name4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide
PubChem CID81196401
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide
SMILESCC(CN)CS(=O)(=O)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-9(6-13)7-18(16,17)8-10-2-4-11(5-3-10)12(14)15/h2-5,9H,6-8,13H2,1H3,(H2,14,15)
InChIKeyVOEYHJYDLGZAMS-UHFFFAOYSA-N
XLogP0.30
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-tert-butylphenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81198026
4-[(3-amino-2-methylpropyl)sulfonylmethyl]-3-fluorobenzamide
CID 81198489
2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine
CID 81202392
3-[(3,4-dimethylphenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81197359
4-[(3-amino-2-methylpropyl)sulfanylmethyl]benzamide
CID 66226072
3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol
CID 81196409
[4-(2-methylbutylsulfonylmethyl)phenyl]methanamine
CID 107767146
4-(2-hydroxypropylsulfonylmethyl)benzoic acid
CID 66878090
3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202387
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
4-[(2S)-2-methyl-3-oxopropyl]benzamide
CID 143055288
4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide
CID 65192569

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide?
The IUPAC name of 4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide (CID 81196401) is 4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide.
What is the SMILES notation for 4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide?
The canonical SMILES for 4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide is CC(CN)CS(=O)(=O)Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide?
The InChIKey is VOEYHJYDLGZAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(6-13)7-18(16,17)8-10-2-4-11(5-3-10)12(14)15/h2-5,9H,6-8,13H2,1H3,(H2,14,15).
What are the key properties of 4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide?
4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide has a molecular weight of 270.35 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide is sourced from PubChem (CID 81196401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).