N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide

C15H26N2O2S — CID 80686528

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-4-15(5-2,13-16)17(3)20(18,19)12-11-14-9-7-6-8-10-14/h6-10H,4-5,11-13,16H2,1-3H3
InChIKeyKOLJGUTUVDGJCZ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.01
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide (PubChem CID 80686528) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide
PubChem CID80686528
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-4-15(5-2,13-16)17(3)20(18,19)12-11-14-9-7-6-8-10-14/h6-10H,4-5,11-13,16H2,1-3H3
InChIKeyKOLJGUTUVDGJCZ-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide
CID 63245031
N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide
CID 80686235
N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide
CID 80690978
N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide
CID 79664110
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide
CID 110669403
2-ethyl-2-(2-phenylethylsulfonylamino)butanethioamide
CID 80686540
N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide
CID 106251290
N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine
CID 79008228
[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
CID 63887406

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide (CID 80686528) is N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide is CCC(CC)(CN)N(C)S(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide?
The InChIKey is KOLJGUTUVDGJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-15(5-2,13-16)17(3)20(18,19)12-11-14-9-7-6-8-10-14/h6-10H,4-5,11-13,16H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide is sourced from PubChem (CID 80686528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).