N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide

C11H17N3O2S — CID 156531120

IUPACN-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide
SMILESCC(C)CCC(=O)N=S(N)(=O)c1ccncc1
InChIInChI=1S/C11H17N3O2S/c1-9(2)3-4-11(15)14-17(12,16)10-5-7-13-8-6-10/h5-9H,3-4H2,1-2H3,(H2,12,14,15,16)
InChIKeyURZCMLPAXWZJBG-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.75
Rot. Bonds4

About N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide

N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide (PubChem CID 156531120) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide.

Molecular Properties

Compound NameN-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide
PubChem CID156531120
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide
SMILESCC(C)CCC(=O)N=S(N)(=O)c1ccncc1
InChIInChI=1S/C11H17N3O2S/c1-9(2)3-4-11(15)14-17(12,16)10-5-7-13-8-6-10/h5-9H,3-4H2,1-2H3,(H2,12,14,15,16)
InChIKeyURZCMLPAXWZJBG-UHFFFAOYSA-N
XLogP1.75
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide
CID 156531687
6-methyl-2-pyridin-4-ylheptan-3-one
CID 66471839
(2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide
CID 156530582
4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
CID 145138139
N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 42890124
3-methylbutyl pyridine-4-carboxylate
CID 12509138
7-methyl-1-pyridin-4-yloctan-2-one
CID 160568287
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-amino-N-methyl-4-methylsulfonyl-N-(1-pyridin-4-ylethyl)butanamide
CID 60962966
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 62113298
4-amino-2-methyl-1-pyridin-4-ylbutan-1-one
CID 116916055

Frequently Asked Questions

What is the IUPAC name of N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide?
The IUPAC name of N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide (CID 156531120) is N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide.
What is the SMILES notation for N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide?
The canonical SMILES for N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide is CC(C)CCC(=O)N=S(N)(=O)c1ccncc1.
What is the InChIKey of N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide?
The InChIKey is URZCMLPAXWZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9(2)3-4-11(15)14-17(12,16)10-5-7-13-8-6-10/h5-9H,3-4H2,1-2H3,(H2,12,14,15,16).
What are the key properties of N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide?
N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide has a molecular weight of 255.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide is sourced from PubChem (CID 156531120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).