(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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Related Compounds

N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide
CID 86992799
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide
CID 94027199
N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide
CID 47417604
2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide
CID 110373599
(2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 39082461
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645
2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
CID 81201903
3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883
N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
CID 110464861
2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide
CID 81081653

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).