N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide

C13H20N2OS — CID 47159240

IUPACN-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
SMILESCc1ccc(SC(C)C(=O)NC(C)(C)C)nc1
InChIInChI=1S/C13H20N2OS/c1-9-6-7-11(14-8-9)17-10(2)12(16)15-13(3,4)5/h6-8,10H,1-5H3,(H,15,16)
InChIKeyLTCXEVRGESBKGZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.79
Rot. Bonds3

About N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide

N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 47159240) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID47159240
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
SMILESCc1ccc(SC(C)C(=O)NC(C)(C)C)nc1
InChIInChI=1S/C13H20N2OS/c1-9-6-7-11(14-8-9)17-10(2)12(16)15-13(3,4)5/h6-8,10H,1-5H3,(H,15,16)
InChIKeyLTCXEVRGESBKGZ-UHFFFAOYSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
CID 95597669
N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 17417079
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
CID 875313
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 33019286
N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62028576
2-(4-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 19317772
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide
CID 81312245
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide
CID 79141528
(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 40707204
N-tert-butyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 86790559

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide (CID 47159240) is N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide is Cc1ccc(SC(C)C(=O)NC(C)(C)C)nc1.
What is the InChIKey of N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is LTCXEVRGESBKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-6-7-11(14-8-9)17-10(2)12(16)15-13(3,4)5/h6-8,10H,1-5H3,(H,15,16).
What are the key properties of N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide?
N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 252.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 47159240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).