2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide

C12H18N2O3S — CID 64629794

IUPAC2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide
SMILESCC(CS(C)(=O)=O)NCc1ccccc1C(N)=O
InChIInChI=1S/C12H18N2O3S/c1-9(8-18(2,16)17)14-7-10-5-3-4-6-11(10)12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15)
InChIKeyXABHUMDTZHMNER-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.31
Rot. Bonds6

About 2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide

2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide (PubChem CID 64629794) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide
PubChem CID64629794
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide
SMILESCC(CS(C)(=O)=O)NCc1ccccc1C(N)=O
InChIInChI=1S/C12H18N2O3S/c1-9(8-18(2,16)17)14-7-10-5-3-4-6-11(10)12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15)
InChIKeyXABHUMDTZHMNER-UHFFFAOYSA-N
XLogP0.31
TPSA89.26 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 ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide
CID 43199220
2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81356256
2-[(1-hydroxypropan-2-ylamino)methyl]benzoic acid
CID 103238312
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 81401144
2-[(pent-1-yn-3-ylamino)methyl]benzamide
CID 106229276
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 61469258
2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide
CID 106190626
N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 79763044
2-[(5-methylhexan-2-ylamino)methyl]benzoic acid
CID 103252215

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide?
The IUPAC name of 2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide (CID 64629794) is 2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide.
What is the SMILES notation for 2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide?
The canonical SMILES for 2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide is CC(CS(C)(=O)=O)NCc1ccccc1C(N)=O.
What is the InChIKey of 2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide?
The InChIKey is XABHUMDTZHMNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(8-18(2,16)17)14-7-10-5-3-4-6-11(10)12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide?
2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide has a molecular weight of 270.35 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 64629794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).