(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide

C13H18N2O4S — CID 94027204

IUPAC(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide
SMILESC[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C13H18N2O4S/c1-10(13(16)15-9-11-5-4-8-19-11)20(17,18)12-6-2-3-7-14-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyUQJMQRSZASXVGF-WDEREUQCSA-N
MW298.36 g/mol
LogP0.54
Rot. Bonds5

About (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide

(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide (PubChem CID 94027204) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide
PubChem CID94027204
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide
SMILESC[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C13H18N2O4S/c1-10(13(16)15-9-11-5-4-8-19-11)20(17,18)12-6-2-3-7-14-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyUQJMQRSZASXVGF-WDEREUQCSA-N
XLogP0.54
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94027230
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810
(2R)-2-(N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 51711069
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 776917
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3128939
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110407872
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide?
The IUPAC name of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide (CID 94027204) is (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide is C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccccn1.
What is the InChIKey of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide?
The InChIKey is UQJMQRSZASXVGF-WDEREUQCSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10(13(16)15-9-11-5-4-8-19-11)20(17,18)12-6-2-3-7-14-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,15,16)/t10-,11+/m0/s1.
What are the key properties of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide?
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide has a molecular weight of 298.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide is sourced from PubChem (CID 94027204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).