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

C10H15N3OS — CID 43300145

IUPAC2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1ccncc1N
InChIInChI=1S/C10H15N3OS/c1-2-4-13-10(14)7-15-9-3-5-12-6-8(9)11/h3,5-6H,2,4,7,11H2,1H3,(H,13,14)
InChIKeyGHFNLCCVMGKTSC-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.28
Rot. Bonds5

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

2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide (PubChem CID 43300145) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
PubChem CID43300145
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1ccncc1N
InChIInChI=1S/C10H15N3OS/c1-2-4-13-10(14)7-15-9-3-5-12-6-8(9)11/h3,5-6H,2,4,7,11H2,1H3,(H,13,14)
InChIKeyGHFNLCCVMGKTSC-UHFFFAOYSA-N
XLogP1.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
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
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43299864
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
CID 43299948
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 43299634
methyl 2-[[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]amino]-4-methylpentanoate
CID 43299696
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 43299532
N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide
CID 43299698
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43299826
2-[(3-amino-4-pyridinyl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 43299539
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 43299575

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide (CID 43300145) is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide?
The InChIKey is GHFNLCCVMGKTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-4-13-10(14)7-15-9-3-5-12-6-8(9)11/h3,5-6H,2,4,7,11H2,1H3,(H,13,14).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide?
2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide has a molecular weight of 225.32 g/mol, XLogP of 1.28, 5 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-propylacetamide is sourced from PubChem (CID 43300145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).