(2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide

C13H20N2OS — CID 95615900

IUPAC(2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide
SMILESCCCCS[C@H](C)C(=O)Nc1ccncc1C
InChIInChI=1S/C13H20N2OS/c1-4-5-8-17-11(3)13(16)15-12-6-7-14-9-10(12)2/h6-7,9,11H,4-5,8H2,1-3H3,(H,14,15,16)/t11-/m1/s1
InChIKeyYRJUJVJWDYGLEZ-LLVKDONJSA-N
MW252.38 g/mol
LogP3.25
Rot. Bonds6

About (2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide

(2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide (PubChem CID 95615900) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide
PubChem CID95615900
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide
SMILESCCCCS[C@H](C)C(=O)Nc1ccncc1C
InChIInChI=1S/C13H20N2OS/c1-4-5-8-17-11(3)13(16)15-12-6-7-14-9-10(12)2/h6-7,9,11H,4-5,8H2,1-3H3,(H,14,15,16)/t11-/m1/s1
InChIKeyYRJUJVJWDYGLEZ-LLVKDONJSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide
CID 63672051
2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide
CID 78762081
2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide
CID 77004212
2-carbamothioyl-N-(3-methyl-4-pyridinyl)pentanamide
CID 63672053
(2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide
CID 96532919
2-butylsulfanyl-N-(2-phenylphenyl)propanamide
CID 112781235
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
2-(ethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671038
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
2-amino-2-(4-methylphenyl)-N-(3-methyl-4-pyridinyl)acetamide
CID 106151710
2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 78762031

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide?
The IUPAC name of (2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide (CID 95615900) is (2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide.
What is the SMILES notation for (2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide?
The canonical SMILES for (2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide is CCCCS[C@H](C)C(=O)Nc1ccncc1C.
What is the InChIKey of (2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide?
The InChIKey is YRJUJVJWDYGLEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-5-8-17-11(3)13(16)15-12-6-7-14-9-10(12)2/h6-7,9,11H,4-5,8H2,1-3H3,(H,14,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide?
(2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide has a molecular weight of 252.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide is sourced from PubChem (CID 95615900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).