2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine

C11H21NO2S — CID 106512841

IUPAC2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H21NO2S/c1-3-8-12-9-10(2)15(13,14)11-6-4-5-7-11/h3,10-12H,1,4-9H2,2H3
InChIKeyLPRUQOQEPAPTBN-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.51
Rot. Bonds6

About 2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine

2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine (PubChem CID 106512841) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine
PubChem CID106512841
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H21NO2S/c1-3-8-12-9-10(2)15(13,14)11-6-4-5-7-11/h3,10-12H,1,4-9H2,2H3
InChIKeyLPRUQOQEPAPTBN-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine (CID 106512841) is 2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine is C=CCNCC(C)S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine?
The InChIKey is LPRUQOQEPAPTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-3-8-12-9-10(2)15(13,14)11-6-4-5-7-11/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine?
2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 106512841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).