N-[3-(1-phenylpentylamino)propyl]methanesulfonamide

C15H26N2O2S — CID 103716746

IUPACN-[3-(1-phenylpentylamino)propyl]methanesulfonamide
SMILESCCCCC(NCCCNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-3-4-11-15(14-9-6-5-7-10-14)16-12-8-13-17-20(2,18)19/h5-7,9-10,15-17H,3-4,8,11-13H2,1-2H3
InChIKeyXEYDHAJKWDOILY-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.45
Rot. Bonds10

About N-[3-(1-phenylpentylamino)propyl]methanesulfonamide

N-[3-(1-phenylpentylamino)propyl]methanesulfonamide (PubChem CID 103716746) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[3-(1-phenylpentylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-phenylpentylamino)propyl]methanesulfonamide
PubChem CID103716746
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[3-(1-phenylpentylamino)propyl]methanesulfonamide
SMILESCCCCC(NCCCNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-3-4-11-15(14-9-6-5-7-10-14)16-12-8-13-17-20(2,18)19/h5-7,9-10,15-17H,3-4,8,11-13H2,1-2H3
InChIKeyXEYDHAJKWDOILY-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide
CID 103776590
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757523
N-[3-[1-(4-bromophenyl)propylamino]propyl]methanesulfonamide
CID 103776673
N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide
CID 103947611
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
[(1S)-1-phenylpentyl]hydrazine
CID 124537681

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-phenylpentylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(1-phenylpentylamino)propyl]methanesulfonamide (CID 103716746) is N-[3-(1-phenylpentylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1-phenylpentylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(1-phenylpentylamino)propyl]methanesulfonamide is CCCCC(NCCCNS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[3-(1-phenylpentylamino)propyl]methanesulfonamide?
The InChIKey is XEYDHAJKWDOILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-4-11-15(14-9-6-5-7-10-14)16-12-8-13-17-20(2,18)19/h5-7,9-10,15-17H,3-4,8,11-13H2,1-2H3.
What are the key properties of N-[3-(1-phenylpentylamino)propyl]methanesulfonamide?
N-[3-(1-phenylpentylamino)propyl]methanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-phenylpentylamino)propyl]methanesulfonamide is sourced from PubChem (CID 103716746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).