5-cyclopentylsulfonylpentan-1-amine

C10H21NO2S — CID 64698882

IUPAC5-cyclopentylsulfonylpentan-1-amine
SMILESNCCCCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H21NO2S/c11-8-4-1-5-9-14(12,13)10-6-2-3-7-10/h10H,1-9,11H2
InChIKeyFTRFODZWSWNPGS-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.47
Rot. Bonds6

About 5-cyclopentylsulfonylpentan-1-amine

5-cyclopentylsulfonylpentan-1-amine (PubChem CID 64698882) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 5-cyclopentylsulfonylpentan-1-amine.

Molecular Properties

Compound Name5-cyclopentylsulfonylpentan-1-amine
PubChem CID64698882
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name5-cyclopentylsulfonylpentan-1-amine
SMILESNCCCCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H21NO2S/c11-8-4-1-5-9-14(12,13)10-6-2-3-7-10/h10H,1-9,11H2
InChIKeyFTRFODZWSWNPGS-UHFFFAOYSA-N
XLogP1.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylsulfonylpentan-1-amine?
The IUPAC name of 5-cyclopentylsulfonylpentan-1-amine (CID 64698882) is 5-cyclopentylsulfonylpentan-1-amine.
What is the SMILES notation for 5-cyclopentylsulfonylpentan-1-amine?
The canonical SMILES for 5-cyclopentylsulfonylpentan-1-amine is NCCCCCS(=O)(=O)C1CCCC1.
What is the InChIKey of 5-cyclopentylsulfonylpentan-1-amine?
The InChIKey is FTRFODZWSWNPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c11-8-4-1-5-9-14(12,13)10-6-2-3-7-10/h10H,1-9,11H2.
What are the key properties of 5-cyclopentylsulfonylpentan-1-amine?
5-cyclopentylsulfonylpentan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylsulfonylpentan-1-amine is sourced from PubChem (CID 64698882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).