3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide

C14H23N3O3S — CID 81070137

IUPAC3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-11(10-15)9-14(18)16-12-5-7-13(8-6-12)21(19,20)17(2)3/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyQJFNEQHCXQSQSD-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.25
Rot. Bonds7

About 3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide

3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide (PubChem CID 81070137) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
PubChem CID81070137
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-11(10-15)9-14(18)16-12-5-7-13(8-6-12)21(19,20)17(2)3/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyQJFNEQHCXQSQSD-UHFFFAOYSA-N
XLogP1.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
CID 81070870
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
N-(4-acetylphenyl)-3-(aminomethyl)pentanamide
CID 81086671
2-(diethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17432578
2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65226088
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119982559
3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 106111504
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811085

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide (CID 81070137) is 3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide is CCC(CN)CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide?
The InChIKey is QJFNEQHCXQSQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-11(10-15)9-14(18)16-12-5-7-13(8-6-12)21(19,20)17(2)3/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of 3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide?
3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide has a molecular weight of 313.42 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 81070137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).