4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide

C10H15N3OS — CID 63891001

IUPAC4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide
SMILESCNC(=O)CCCSc1ccc(N)nc1
InChIInChI=1S/C10H15N3OS/c1-12-10(14)3-2-6-15-8-4-5-9(11)13-7-8/h4-5,7H,2-3,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyUOARMXOGFUJYES-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.28
Rot. Bonds5

About 4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide

4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide (PubChem CID 63891001) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide
PubChem CID63891001
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide
SMILESCNC(=O)CCCSc1ccc(N)nc1
InChIInChI=1S/C10H15N3OS/c1-12-10(14)3-2-6-15-8-4-5-9(11)13-7-8/h4-5,7H,2-3,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyUOARMXOGFUJYES-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

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 43301810
4-(4-aminophenyl)sulfanyl-N-methylbutanamide
CID 63890787
3-[(6-amino-3-pyridinyl)sulfanyl]propanehydrazide
CID 63590449
5-[3-(methylamino)propylsulfanyl]pyridin-2-amine
CID 106318328
5-(4-methylpentylsulfanyl)pyridin-2-amine
CID 83158550
5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine
CID 82095718
2-[(6-amino-3-pyridinyl)sulfanyl]acetamide
CID 43302194
5-[(E)-but-2-enyl]sulfanylpyridin-2-amine
CID 43302260
N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 119516033
5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine
CID 104563701
5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine
CID 43301959
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
CID 43302063

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide?
The IUPAC name of 4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide (CID 63891001) is 4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide.
What is the SMILES notation for 4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide?
The canonical SMILES for 4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide is CNC(=O)CCCSc1ccc(N)nc1.
What is the InChIKey of 4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide?
The InChIKey is UOARMXOGFUJYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-12-10(14)3-2-6-15-8-4-5-9(11)13-7-8/h4-5,7H,2-3,6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide?
4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide 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 4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide is sourced from PubChem (CID 63891001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).