N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide

C15H24N2O3S — CID 81485805

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-11(2)14(16)8-9-17(3)15(18)12-6-5-7-13(10-12)21(4,19)20/h5-7,10-11,14H,8-9,16H2,1-4H3
InChIKeyZYYFNKSONDBUME-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.54
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide

N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide (PubChem CID 81485805) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
PubChem CID81485805
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-11(2)14(16)8-9-17(3)15(18)12-6-5-7-13(10-12)21(4,19)20/h5-7,10-11,14H,8-9,16H2,1-4H3
InChIKeyZYYFNKSONDBUME-UHFFFAOYSA-N
XLogP1.54
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119657347
N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 119660555
N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 119657426
N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
CID 119660112
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
CID 69372704
N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide
CID 119659582
2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid
CID 16777539
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 115317434

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide (CID 81485805) is N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide is CC(C)C(N)CCN(C)C(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide?
The InChIKey is ZYYFNKSONDBUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)14(16)8-9-17(3)15(18)12-6-5-7-13(10-12)21(4,19)20/h5-7,10-11,14H,8-9,16H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide?
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 81485805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).