(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide

C11H16N2O3S — CID 94025060

IUPAC(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESC[C@H](C(=O)NCCc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C11H16N2O3S/c1-9(17(2,15)16)11(14)13-8-6-10-5-3-4-7-12-10/h3-5,7,9H,6,8H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyHKYMIOQCJWBTIT-SECBINFHSA-N
MW256.33 g/mol
LogP0.17
Rot. Bonds5

About (2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide

(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 94025060) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID94025060
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESC[C@H](C(=O)NCCc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C11H16N2O3S/c1-9(17(2,15)16)11(14)13-8-6-10-5-3-4-7-12-10/h3-5,7,9H,6,8H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyHKYMIOQCJWBTIT-SECBINFHSA-N
XLogP0.17
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
2-(2-pyridin-2-ylethylsulfamoyl)propanoic acid
CID 54947851
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide
CID 71938888
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 64629702
(2R)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943722
(2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943721

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of (2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide (CID 94025060) is (2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for (2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for (2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide is C[C@H](C(=O)NCCc1ccccn1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is HKYMIOQCJWBTIT-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-9(17(2,15)16)11(14)13-8-6-10-5-3-4-7-12-10/h3-5,7,9H,6,8H2,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide?
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 256.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 94025060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).