3-(3-aminobutylsulfonylmethyl)benzamide

C12H18N2O3S — CID 81194636

IUPAC3-(3-aminobutylsulfonylmethyl)benzamide
SMILESCC(N)CCS(=O)(=O)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-9(13)5-6-18(16,17)8-10-3-2-4-11(7-10)12(14)15/h2-4,7,9H,5-6,8,13H2,1H3,(H2,14,15)
InChIKeyFGJYYRHLNVGHEO-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.44
Rot. Bonds6

About 3-(3-aminobutylsulfonylmethyl)benzamide

3-(3-aminobutylsulfonylmethyl)benzamide (PubChem CID 81194636) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(3-aminobutylsulfonylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-aminobutylsulfonylmethyl)benzamide
PubChem CID81194636
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-(3-aminobutylsulfonylmethyl)benzamide
SMILESCC(N)CCS(=O)(=O)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-9(13)5-6-18(16,17)8-10-3-2-4-11(7-10)12(14)15/h2-4,7,9H,5-6,8,13H2,1H3,(H2,14,15)
InChIKeyFGJYYRHLNVGHEO-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-aminobutylsulfonylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylpropyl)benzamide
CID 23130390
3-(ethylsulfonylmethyl)benzoic acid
CID 43386055
3-(butylsulfonylmethyl)benzoic acid
CID 43615611
3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 66089913
3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide
CID 81193096
3-(sulfanylmethyl)benzamide
CID 118350806
3-[[2-(2-methylpropylamino)-2-oxoethyl]sulfonylmethyl]benzoic acid
CID 94804400
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
3-(2,3-dihydroxypropylsulfonylmethyl)benzenecarbothioamide
CID 82178406
3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide
CID 115659478
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobutylsulfonylmethyl)benzamide?
The IUPAC name of 3-(3-aminobutylsulfonylmethyl)benzamide (CID 81194636) is 3-(3-aminobutylsulfonylmethyl)benzamide.
What is the SMILES notation for 3-(3-aminobutylsulfonylmethyl)benzamide?
The canonical SMILES for 3-(3-aminobutylsulfonylmethyl)benzamide is CC(N)CCS(=O)(=O)Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(3-aminobutylsulfonylmethyl)benzamide?
The InChIKey is FGJYYRHLNVGHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(13)5-6-18(16,17)8-10-3-2-4-11(7-10)12(14)15/h2-4,7,9H,5-6,8,13H2,1H3,(H2,14,15).
What are the key properties of 3-(3-aminobutylsulfonylmethyl)benzamide?
3-(3-aminobutylsulfonylmethyl)benzamide has a molecular weight of 270.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobutylsulfonylmethyl)benzamide is sourced from PubChem (CID 81194636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).