3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide

C11H17NO3S — CID 47039019

IUPAC3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H17NO3S/c1-2-8-12-11(13)7-9-16(14,15)10-5-3-4-6-10/h1,10H,3-9H2,(H,12,13)
InChIKeyARIOKJCFZIWDLE-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.48
Rot. Bonds5

About 3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide

3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide (PubChem CID 47039019) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide
PubChem CID47039019
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H17NO3S/c1-2-8-12-11(13)7-9-16(14,15)10-5-3-4-6-10/h1,10H,3-9H2,(H,12,13)
InChIKeyARIOKJCFZIWDLE-UHFFFAOYSA-N
XLogP0.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide (CID 47039019) is 3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide is C#CCNC(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide?
The InChIKey is ARIOKJCFZIWDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-8-12-11(13)7-9-16(14,15)10-5-3-4-6-10/h1,10H,3-9H2,(H,12,13).
What are the key properties of 3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide?
3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide has a molecular weight of 243.33 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 47039019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).