(2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide

C13H20N2OS — CID 95597669

IUPAC(2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
SMILESCc1ccc(S[C@H](C)C(=O)NCC(C)C)nc1
InChIInChI=1S/C13H20N2OS/c1-9(2)7-15-13(16)11(4)17-12-6-5-10(3)8-14-12/h5-6,8-9,11H,7H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyZZZOAXFRIGMSPV-LLVKDONJSA-N
MW252.38 g/mol
LogP2.64
Rot. Bonds5

About (2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide

(2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 95597669) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID95597669
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
SMILESCc1ccc(S[C@H](C)C(=O)NCC(C)C)nc1
InChIInChI=1S/C13H20N2OS/c1-9(2)7-15-13(16)11(4)17-12-6-5-10(3)8-14-12/h5-6,8-9,11H,7H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyZZZOAXFRIGMSPV-LLVKDONJSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
CID 47159240
N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46621109
N-prop-2-ynyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 47145329
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 112815810
(2R)-2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124568214
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134007796
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide
CID 46629780
(2S)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 94814627
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methylpropyl)propanamide
CID 24601298
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
CID 97251469
(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 39758716

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide (CID 95597669) is (2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide is Cc1ccc(S[C@H](C)C(=O)NCC(C)C)nc1.
What is the InChIKey of (2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is ZZZOAXFRIGMSPV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)7-15-13(16)11(4)17-12-6-5-10(3)8-14-12/h5-6,8-9,11H,7H2,1-4H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide?
(2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 252.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 95597669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).