2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine

C17H29NO2S — CID 106735539

IUPAC2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine
SMILESCCCNCC(CCCS(=O)(=O)CCC)c1ccccc1
InChIInChI=1S/C17H29NO2S/c1-3-12-18-15-17(16-9-6-5-7-10-16)11-8-14-21(19,20)13-4-2/h5-7,9-10,17-18H,3-4,8,11-15H2,1-2H3
InChIKeyRBEUHHNHWQTYBG-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.37
Rot. Bonds11

About 2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine

2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine (PubChem CID 106735539) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine
PubChem CID106735539
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine
SMILESCCCNCC(CCCS(=O)(=O)CCC)c1ccccc1
InChIInChI=1S/C17H29NO2S/c1-3-12-18-15-17(16-9-6-5-7-10-16)11-8-14-21(19,20)13-4-2/h5-7,9-10,17-18H,3-4,8,11-15H2,1-2H3
InChIKeyRBEUHHNHWQTYBG-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65430810
2-phenyl-N-propylnonan-1-amine
CID 65429485
2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
CID 79436264
2-phenyl-N-propyloct-6-yn-1-amine
CID 113456169
4-ethylsulfonyl-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 79417569
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
(2S)-N-butyl-2-phenyl-5-propyloctan-1-amine
CID 142174124
2-(2-phenylnonylamino)ethanol
CID 142077190
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
acetylene;(2S)-N-butyl-2-phenyl-5-propyloctan-1-amine;pentane
CID 142174123
5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
CID 104845545

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine?
The IUPAC name of 2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine (CID 106735539) is 2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine.
What is the SMILES notation for 2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine?
The canonical SMILES for 2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine is CCCNCC(CCCS(=O)(=O)CCC)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine?
The InChIKey is RBEUHHNHWQTYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-3-12-18-15-17(16-9-6-5-7-10-16)11-8-14-21(19,20)13-4-2/h5-7,9-10,17-18H,3-4,8,11-15H2,1-2H3.
What are the key properties of 2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine?
2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine has a molecular weight of 311.49 g/mol, XLogP of 3.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine is sourced from PubChem (CID 106735539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).