5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide

C14H23N3O3S — CID 63888193

IUPAC5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(C)c(C(N)=O)c1
InChIInChI=1S/C14H23N3O3S/c1-4-14(5-2,9-15)17-21(19,20)11-7-6-10(3)12(8-11)13(16)18/h6-8,17H,4-5,9,15H2,1-3H3,(H2,16,18)
InChIKeyDIHYQLGSIAKVNR-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.89
Rot. Bonds7

About 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide

5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide (PubChem CID 63888193) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide
PubChem CID63888193
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(C)c(C(N)=O)c1
InChIInChI=1S/C14H23N3O3S/c1-4-14(5-2,9-15)17-21(19,20)11-7-6-10(3)12(8-11)13(16)18/h6-8,17H,4-5,9,15H2,1-3H3,(H2,16,18)
InChIKeyDIHYQLGSIAKVNR-UHFFFAOYSA-N
XLogP0.89
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 61124942
5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide
CID 119985275
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-5-methylsulfonylbenzamide
CID 119570598
5-[(carbamothioylamino)sulfamoyl]-2-methylbenzamide
CID 65214372
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]-2-methylbenzoic acid
CID 107848139
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide
CID 120710324
N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 61124769
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119981261
2-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbutanethioamide
CID 61124872

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide (CID 63888193) is 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide is CCC(CC)(CN)NS(=O)(=O)c1ccc(C)c(C(N)=O)c1.
What is the InChIKey of 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide?
The InChIKey is DIHYQLGSIAKVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-14(5-2,9-15)17-21(19,20)11-7-6-10(3)12(8-11)13(16)18/h6-8,17H,4-5,9,15H2,1-3H3,(H2,16,18).
What are the key properties of 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide?
5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide has a molecular weight of 313.42 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 63888193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).