2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide

C12H19N3OS — CID 43299915

IUPAC2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSc1ccncc1N
InChIInChI=1S/C12H19N3OS/c1-9(2)3-6-15-12(16)8-17-11-4-5-14-7-10(11)13/h4-5,7,9H,3,6,8,13H2,1-2H3,(H,15,16)
InChIKeyWUURTEMERNUKFI-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.92
Rot. Bonds6

About 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide (PubChem CID 43299915) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
PubChem CID43299915
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSc1ccncc1N
InChIInChI=1S/C12H19N3OS/c1-9(2)3-6-15-12(16)8-17-11-4-5-14-7-10(11)13/h4-5,7,9H,3,6,8,13H2,1-2H3,(H,15,16)
InChIKeyWUURTEMERNUKFI-UHFFFAOYSA-N
XLogP1.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
CID 43300145
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918
methyl 4-[[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]amino]butanoate
CID 43299937
methyl 2-[[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]amino]-4-methylpentanoate
CID 43299696
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79142633
2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 62113298
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43299864
4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026
2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide
CID 61358058
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 43299634
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 43299532
2-[(3-amino-4-pyridinyl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 43299539

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide (CID 43299915) is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CSc1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide?
The InChIKey is WUURTEMERNUKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(2)3-6-15-12(16)8-17-11-4-5-14-7-10(11)13/h4-5,7,9H,3,6,8,13H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide?
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 43299915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).