(2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide

C12H18N2O4S — CID 94149721

IUPAC(2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide
SMILESCOCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccccn1
InChIInChI=1S/C12H18N2O4S/c1-10(12(15)14-8-5-9-18-2)19(16,17)11-6-3-4-7-13-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyVZISZGXMFNJYMD-SNVBAGLBSA-N
MW286.35 g/mol
LogP0.40
Rot. Bonds7

About (2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide

(2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide (PubChem CID 94149721) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is (2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide
PubChem CID94149721
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name(2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide
SMILESCOCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccccn1
InChIInChI=1S/C12H18N2O4S/c1-10(12(15)14-8-5-9-18-2)19(16,17)11-6-3-4-7-13-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyVZISZGXMFNJYMD-SNVBAGLBSA-N
XLogP0.40
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide?
The IUPAC name of (2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide (CID 94149721) is (2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide?
The canonical SMILES for (2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide is COCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccccn1.
What is the InChIKey of (2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide?
The InChIKey is VZISZGXMFNJYMD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-10(12(15)14-8-5-9-18-2)19(16,17)11-6-3-4-7-13-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide?
(2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide has a molecular weight of 286.35 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide is sourced from PubChem (CID 94149721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).