N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide

C14H24N2O3S — CID 42159390

IUPACN-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide
SMILESC=CCS(=O)(=O)N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C14H24N2O3S/c1-2-11-20(18,19)16-9-7-12(8-10-16)3-6-14(17)15-13-4-5-13/h2,12-13H,1,3-11H2,(H,15,17)
InChIKeySLILVUYJDMEZEP-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.27
Rot. Bonds7

About N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide

N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide (PubChem CID 42159390) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide
PubChem CID42159390
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide
SMILESC=CCS(=O)(=O)N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C14H24N2O3S/c1-2-11-20(18,19)16-9-7-12(8-10-16)3-6-14(17)15-13-4-5-13/h2,12-13H,1,3-11H2,(H,15,17)
InChIKeySLILVUYJDMEZEP-UHFFFAOYSA-N
XLogP1.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide (CID 42159390) is N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide is C=CCS(=O)(=O)N1CCC(CCC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is SLILVUYJDMEZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-2-11-20(18,19)16-9-7-12(8-10-16)3-6-14(17)15-13-4-5-13/h2,12-13H,1,3-11H2,(H,15,17).
What are the key properties of N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide?
N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 300.42 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1-prop-2-enylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 42159390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).